Compounds > 1,4-dichloro-2-butene
Page last updated: 2024-11-08

1,4-dichloro-2-butene

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

1,4-dichloro-2-butene: RN given refers to parent cpd without isomeric designation; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID642197
CHEMBL ID468582
CHEBI ID82446
SCHEMBL ID205123
MeSH IDM0056427

Synonyms (85)

Synonym
LS-12983
(e)-1,4-dichloro-but-2-ene
2-butene, 1,4-dichloro-
trans-1,4-dichlorobutene-2
(2e)-1,4-dichlorobut-2-ene
2-butene, 1,4-dichloro-, (2e)-
1,4-dichlorobutene-2 (65% trans-, 35% cis-)
1,4-dichloro-2-butylene
brn 1361446
einecs 212-121-8
1,4-dichlorobutene-2
nsc 9452
rcra waste number u074
rcra waste no. u074
hsdb 6008
2-butylene dichloride
1,4-dcb
ccris 2458
1,4-dichloro-trans-2-butene
2-butene, 1,4-dichloro-, trans-
ai3-52332
brn 1719693
hsdb 1501
trans-1,4-dichlorobutene
einecs 203-779-7
(e)-1,4-dichloro-2-butene
1,4-dichloro-2-butene
764-41-0
2-butene, 1,4-dichloro-, (e)-
trans-1,4-dichloro-2-butene
110-57-6
NCGC00091067-01
inchi=1/c4h6cl2/c5-3-1-2-4-6/h1-2h,3-4h2/b2-1
GHL.PD_MITSCHER_LEG0.1064
trans-1,4-dichloro-2-butene, technical grade, 85%, remainder predominantly cis isomer
trans-1,4-dichloro-2-butene, 98%
(e)-1,4-dichlorobut-2-ene
D1624
chebi:82446 ,
CHEMBL468582
A802220
(e)-1,4-bis(chloranyl)but-2-ene
NCGC00091067-03
NCGC00091067-02
AKOS009157402
C19398
dtxsid6020434 ,
NCGC00257573-01
dtxcid20434
tox21_200451
tox21_200019
dtxsid9027310 ,
cas-110-57-6
cas-764-41-0
NCGC00258005-01
dtxcid4028123
92hz946h7y ,
4-01-00-00787 (beilstein handbook reference)
unii-92hz946h7y
ccris 8948
1,4-dichloro-2-butene, trans-
trans-1,4-dichlorobuten-2-ene
1,4-dichloro-trans-2-butene [hsdb]
1,4-dichloro-2-butene, (2e)-
1,4-dichloro-2-butene (cis+trans)
BP-30086
SCHEMBL205123
mfcd00000988
trans 1,4-dichlorobutene-2
1,4-dichloro(trans) 2-butene
1,4-dichloro-2-butene, trans
1,4-dichloro-(e)-2-butene
(2e)-1,4-dichloro-2-butene #
1,4-dichlorobutene-2, (e)-
1,4-dichloro-2-but-2-ene
EN300-41991
BBL102602
trans-1,4-dichlorobut-2-ene
STL556405
Q4545691
tri-1,4-dichloro-2-butene
trans-1,4-dichloro-but-2-ene
AMY2667
MS-20466
EN300-306610

Research Excerpts

Dosage Studied

ExcerptRelevanceReference
"This study was conducted to elucidate the time- and dose-response relationships of long-term, low-level 1,4-dichlorobutene-2 (DCB) inhalation exposure to nasal tumor induction in rats."( Nasal tumors in rats following long-term inhalation exposure to 1,4-dichlorobutene-2 (DCB).
Kennedy, GL; Mullin, LS; Wood, CK, 2000)		0.31
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
organochlorine compoundAn organochlorine compound is a compound containing at least one carbon-chlorine bond.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency17.78280.004023.8416100.0000AID485290
interleukin 8Homo sapiens (human)Potency74.97800.047349.480674.9780AID651758
RAR-related orphan receptor gammaMus musculus (house mouse)Potency38.76700.006038.004119,952.5996AID1159523
AR proteinHomo sapiens (human)Potency42.43310.000221.22318,912.5098AID743036; AID743040; AID743042
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency24.52280.000214.376460.0339AID720691; AID720692
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency41.00420.003041.611522,387.1992AID1159552; AID1159553; AID1159555
estrogen nuclear receptor alphaHomo sapiens (human)Potency48.16300.000229.305416,493.5996AID743080
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_aHomo sapiens (human)Potency30.38880.001723.839378.1014AID743083
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency34.05450.000627.21521,122.0200AID651741; AID743202; AID743219
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (1)

Assay IDTitleYearJournalArticle
AID384212Mutagenic activity in Salmonella Typhimurium TA100 assessed as logarithm of his+ revertant number increasing activity by amens test2008Bioorganic & medicinal chemistry, May-15, Volume: 16, Issue:10
Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (12)

TimeframeStudies, This Drug (%)All Drugs %
pre-19906 (50.00)18.7374
1990's2 (16.67)18.2507
2000's4 (33.33)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 32.05

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index32.05 (24.57)
Research Supply Index2.56 (2.92)
Research Growth Index4.25 (4.65)
Search Engine Demand Index36.43 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (32.05)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other12 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
chloroacetaldehyde
[no description available]		2.0410organochlorine compound
ethylene chlorohydrin
Ethylene Chlorohydrin: Used as a solvent, in the manufacture of insecticides, and for treating sweet potatoes before planting. May cause nausea, vomiting, pains in head and chest, stupefaction. Irritates mucous membranes and causes kidney and liver degeneration.. chloroethanol : An organochlorine compound that is ethanol substituted by at least one chloro group.		2.0410chloroethanolxenobiotic metabolite
adenine
[no description available]		1.97106-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
chloroacetic acid
chloroacetic acid: urinary metabolite of vinyl chloride; RN given refers to parent cpd; structure. chloroacetic acid : A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.		2.0410chlorocarboxylic acid;
haloacetic acid		alkylating agent;
herbicide
cytosine
[no description available]		1.9710aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy		1.9610aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
iodoacetic acid
Iodoacetic Acid: A derivative of ACETIC ACID that contains one IODINE atom attached to its methyl group.. iodoacetic acid : A haloacetic acid that is acetic acid in which one of the hydrogens of the methyl group is replaced by an iodine atom.		2.0410haloacetic acid;
organoiodine compound		alkylating agent
bromoacetate
[no description available]		2.0410
2-bromopropane
2-bromopropane: used as a substitute for freon		2.0410
tribromoacetic acid
[no description available]		2.0410
trichloroacetic acid
Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.		2.0410monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
isoprene
isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.		1.9810alkadiene;
hemiterpene;
volatile organic compound		plant metabolite
2,3-dichloro-1-propene
2,3-dichloro-1-propene: soil fumigant		2.0410
2,2-dichloroacetyl chloride
dichloroacetyl chloride : The acyl chloride obtained by displacement of the hydroxy group of dichloroacetic acid by chloride.		2.0410acyl chloridehapten
dichloroacetic acid
[no description available]		2.0410monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite
1,3-dichloro-2-propanol
1,3-dichloro-2-propanol: RN given refers to cpd with specified locants. 1,3-dichloropropan-2-ol : A secondary alcohol that is isopropanol in which one hydrogen of each methyl group is substituted by a chlorine. A liquid at room temperature (melting point -4degreeC, boiling point 174degreeC at 760 mm Hg), it is used as a solvent for hard resins and nitrocellulose.		2.0410organochlorine compound;
secondary alcohol		cross-linking reagent;
protic solvent
epichlorohydrin
Epichlorohydrin: A chlorinated epoxy compound used as an industrial solvent. It is a strong skin irritant and carcinogen.. epichlorohydrin : An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine.		1.9610epoxide;
organochlorine compound
ethylene dibromide
Ethylene Dibromide: An effective soil fumigant, insecticide, and nematocide. In humans, it causes severe burning of skin and irritation of the eyes and respiratory tract. Prolonged inhalation may cause liver necrosis. It is also used in gasoline. Members of this group have caused liver and lung cancers in rodents. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), 1,2-dibromoethane may reasonably be anticipated to be a carcinogen.. 1,2-dibromoethane : A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae.		2.0410bromoalkane;
bromohydrocarbon		algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen
allyl chloride
[no description available]		2.0410organochlorine compound
ethylene bromohydrin
ethylene bromohydrin: RN given refers to 2-bromo cpd		2.0410
3-Bromo-1-propanol
[no description available]		2.0410primary alcohol
dibromoacetic acid
dibromoacetic acid : A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are replaced by bromo groups.		2.04102-bromocarboxylic acid;
monocarboxylic acid		apoptosis inducer;
geroprotector;
marine metabolite
hempa
Hempa: A chemosterilant agent that is anticipated to be a carcinogen.		1.9610phosphoramideinsect sterilant;
mutagen
3,4-dichloro-1-butene
3,4-dichloro-1-butene: RN given refers to cpd without isomeric designation		2.8940
titanium
Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.		210titanium group element atom
ozone
Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.		210elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen		antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer
titanium dioxide
titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.		210titanium oxidesfood colouring
2-bromoacrolein
[no description available]		2.0410
bromodichloroacetic acid
[no description available]		2.0410
bromochloroacetic acid
Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.		2.04102-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
mitobronitol
Mitobronitol: Brominated analog of MANNITOL which is an antineoplastic agent appearing to act as an alkylating agent.		2.0410alcohol;
organobromine compound
ConditionIndicatedRelationship StrengthStudiesTrials
Sensitivity and Specificity
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)		02.0410
Pregnancy
The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.		01.9610
Experimental Neoplasms
[description not available]		0210
Body Weight
The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.		02.4120
Adenocarcinoma, Basal Cell
[description not available]		0210
Adenoma, Basal Cell
[description not available]		0210
Disease, Pulmonary
[description not available]		0210
Condition, Preneoplastic
[description not available]		0210
Corynebacterium Infections
Infections with bacteria of the genus CORYNEBACTERIUM.		0210
Cancer of Nose
[description not available]		02.6830
Adenocarcinoma
A malignant epithelial tumor with a glandular organization.		0210
Adenoma
A benign epithelial tumor with a glandular organization.		0210
Carcinosarcoma
A malignant neoplasm that contains elements of carcinoma and sarcoma so extensively intermixed as to indicate neoplasia of epithelial and mesenchymal tissue. (Stedman, 25th ed)		0210
Lung Diseases
Pathological processes involving any part of the LUNG.		0210
Precancerous Conditions
Pathological conditions that tend eventually to become malignant.		0210
Rhabdomyosarcoma
A malignant solid tumor arising from mesenchymal tissues which normally differentiate to form striated muscle. It can occur in a wide variety of sites. It is divided into four distinct types: pleomorphic, predominantly in male adults; alveolar (RHABDOMYOSARCOMA, ALVEOLAR), mainly in adolescents and young adults; embryonal (RHABDOMYOSARCOMA, EMBRYONAL), predominantly in infants and children; and botryoidal, also in young children. It is one of the most frequently occurring soft tissue sarcomas and the most common in children under 15. (From Dorland, 27th ed; Holland et al., Cancer Medicine, 3d ed, p2186; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, pp1647-9)		0210
Carcinoma, Anaplastic
[description not available]		02.0110
Carcinoma
A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.		02.0110
Abnormalities, Autosome
[description not available]		01.9610