hexabromobenzene

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

Cross-References

ID Source	ID
PubMed CID	6905
CHEMBL ID	375600
SCHEMBL ID	27124
MeSH ID	M0068087

Synonyms (39)

Synonym
LS-13109
AKOS015834911
hexabromobenzene
nsc-113975
87-82-1
nsc113975
benzene, hexabromo-
ai3-60220
ccris 5917
einecs 201-773-9
nsc 113975
hsdb 2912
hexabromobenzene, analytical standard
hexabromobenzene, 98%
NCGC00164035-01
inchi=1/c6br6/c7-1-2(8)4(10)6(12)5(11)3(1)
CHEMBL375600
1,2,3,4,5,6-hexabromobenzene
perbromobenzene
H0363
dtxcid404128
dtxsid1024128 ,
tox21_203003
cas-87-82-1
NCGC00260548-01
t01859xwir ,
benzene, 1,2,3,4,5,6-hexabromo-
hxbbz
unii-t01859xwir
FT-0626943
plasafety hbb
hexabromobenzene [hsdb]
SCHEMBL27124
1,2,3,4,5,6-hexabromobenzene #
mfcd00000058
hexabromobenzene, pestanal(r), analytical standard
Q1616640
hexabromobenzene 100 microg/ml in cyclohexane
CS-0199253

Research Excerpts

Overview

Hexabromobenzene (HBB) is a novel brominated flame retardant (BFR) Added to polymers, plastics, textiles, wood or paper, decreases the amount of carbon monoxide and heat release during fire.

Excerpt	Reference	Relevance
"Hexabromobenzene (HBB) is a novel brominated flame retardant (BFR) with ample evidence of its ubiquitous existence in the aquatic ecosystems. "	( Biochemical biomarkers in liver and gill tissues of freshwater fish Carassius auratus following in vivo exposure to hexabromobenzene. Feng, M; Li, Y; Qu, R; Wang, Z; Wei, Z, 2014)	2.05
"Hexabromobenzene (HBB) is a flame retardant, which added to polymers, plastics, textiles, wood or paper, decreases the amount of carbon monoxide and heat release during fire. "	( Effect of repeated administration of hexabromobenzene and 1,2,4,5-tetrabromobenzene on the levels of selected cytochromes in rat liver. Bruchajzer, E; Frydrych, B; Szymańska, JA, 2004)	2.04

Toxicity

Excerpt	Reference	Relevance
"The flame retardants hexabromobenzene (HBB) and pentabromobenzene (PBB) have been extensively used and become ubiquitous pollutants in the aquatic environment and biota, but their potential toxic effects on wildlife remained unknown."	( Bioconcentration and developmental neurotoxicity of novel brominated flame retardants, hexabromobenzene and pentabromobenzene in zebrafish. Chen, X; Guo, W; Guo, Y; Han, J; Lei, L; Yang, L; Zhou, B, 2021)	1.16

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (6)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
AR protein	Homo sapiens (human)	Potency	2.4806	0.0002	21.2231	8,912.5098	AID1259243; AID1259381; AID743040
progesterone receptor	Homo sapiens (human)	Potency	0.4666	0.0004	17.9460	75.1148	AID1346784; AID1346795; AID1347036
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	0.1194	0.0002	29.3054	16,493.5996	AID743075
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	3.0003	0.0010	19.4141	70.9645	AID743094
Histone H2A.x	Cricetulus griseus (Chinese hamster)	Potency	2.4568	0.0391	47.5451	146.8240	AID1224845
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	0.0013	0.0100	39.5371	1,122.0200	AID588547
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (2)

Assay ID	Title	Year	Journal	Article
AID274424	Displacement of androgen fluormone from androgen receptor at 100 uM	2006	Journal of medicinal chemistry, Dec-14, Volume: 49, Issue:25	Identification of the brominated flame retardant 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane as an androgen agonist.
AID274429	Activity against human androgen receptor expressed in HepG2 cells assessed as renilla reporter gene activation in presence of 1 nM DHT at 1 uM after 40 hrs	2006	Journal of medicinal chemistry, Dec-14, Volume: 49, Issue:25	Identification of the brominated flame retardant 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane as an androgen agonist.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (51)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	7 (13.73)	18.7374
1990's	3 (5.88)	18.2507
2000's	8 (15.69)	29.6817
2010's	27 (52.94)	24.3611
2020's	6 (11.76)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 28.37

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.

Metric	This Compound (vs All)
Research Demand Index	28.37 (24.57)
Research Supply Index	3.97 (2.92)
Research Growth Index	5.15 (4.65)
Search Engine Demand Index	34.37 (26.88)
Search Engine Supply Index	2.00 (0.95)

This Compound (28.37)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	2 (3.85%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	50 (96.15%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
aminolevulinic acid Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.. 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.	1.96	1	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
benzene [no description available]	2.46	2	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
hexachlorocyclohexane Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer.. beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane.	2.11	1	chlorocyclohexane
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	7.07	1	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.	2.13	1	benzenedicarboxylic acid	human xenobiotic metabolite
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	3.88	11	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
2,4,6-tribromophenol [no description available]	2.03	1	bromophenol	environmental contaminant; fungicide; marine metabolite
ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source	2.52	2	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
endosulfan Endosulfan: A polychlorinated compound used for controlling a variety of insects. It is practically water-insoluble, but readily adheres to clay particles and persists in soil and water for several years. Its mode of action involves repetitive nerve-discharges positively correlated to increase in temperature. This compound is extremely toxic to most fish. (From Comp Biochem Physiol (C) 1993 Jul;105(3):347-61). endosulfan : A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10.	2.11	1	cyclic sulfite ester; cyclodiene organochlorine insecticide	acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.	4.37	5	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
tetrabromobisphenol a tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.	3.59	2	brominated flame retardant; bromobisphenol
2,3,4,5,6-pentabromotoluene [no description available]	3.71	9
2-chlorotoluene 2-chlorotoluene: RN given refers to parent cpd	2.13	1
1,4-dibromobenzene [no description available]	1.99	1	dibromobenzene
4-xylene p-xylene : A xylene with methyl groups at positions 1 and 4.	2.11	1	xylene
hexachlorobenzene Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants.	4.51	7	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
hexafluorobenzene [no description available]	7.67	3	fluorobenzenes; fluorocarbon	NMR chemical shift reference compound
dihydrotestosterone Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.	2.03	1	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
2,3,4,5,6-pentachloroaniline [no description available]	2.13	1
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	2.1	1	dialdehyde	biomarker
1,2-dibromobenzene dibromobenzene : Any member of the class of bromobenzenes that consists of a benzene or a substituted benzene ring carrying two bromo groups at unspecified positions.	1.99	1	dibromobenzene
1,2,4-tribromobenzene [no description available]	1.99	1
1,3,5-tribromobenzene [no description available]	1.99	1
decabromobiphenyl ether decabromobiphenyl ether: a flame retardant. decabromodiphenyl ether : A polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines.	3.05	4	polybromodiphenyl ether	neurotoxin
octachloronaphthalene Perna: A genus of freshwater mussel in the family MYTILIDAE, class BIVALVIA. It is found in tropical and warm temperate coastal waters. Most species have green in their shells.	1.98	1
1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane: a flame retardant and androgen receptor agonist; structure in first source	2.44	2
rhodium Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45.	7.51	2	cobalt group element atom
bromine Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested.	2.69	3	diatomic bromine
dechlorane plus dechlorane plus: a flame retardant; structure in first source	2.17	1
tris(2,3-dibromopropyl)phosphate tris(2,3-dibromopropyl)phosphate: flame retardant	2.1	1	trialkyl phosphate
alkenes [no description available]	2.07	1
dechlorane 602 dechlorane 602: structure in first source	2.11	1
2,4,5,2',4',5'-hexachlorobiphenyl [no description available]	1.98	1	hexachlorobiphenyl
1,2-bis(2,4,6-tribromophenoxy)ethane 1,2-bis(2,4,6-tribromophenoxy)ethane: structure given in first source	4.1	4
2,2',4,4'-tetrabromodiphenyl ether [no description available]	2.78	3	aromatic ether; organobromine compound
beta-bromostyrene [no description available]	2.03	1
decabromodiphenyl ethane decabromodiphenyl ethane: structure in first source	5.31	9
tribromodiphenyl ether 28 4-bromophenyl 2,4-dibromophenyl ether : A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, and 4' positions have been replaced by bromines.	2.48	2	polybromodiphenyl ether
bde 183 2,2',3,4,4',5',6-heptabromodiphenyl ether: a polybrominated diphenyl ether compound	2.03	1	aromatic ether; organobromine compound
2-ethylhexyl 2,3,4,5-tetrabromobenzoate 2-ethylhexyl 2,3,4,5-tetrabromobenzoate: structure in first source	2.53	2
2,3-dibromopropyl-2,4,6-tribromophenyl ether 2,3-dibromopropyl-2,4,6-tribromophenyl ether: brominated flame retardant; structure in first source	2.79	3

Condition	Relationship Strength	Studies
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	2.36	2
Abnormalities, Drug-Induced Congenital abnormalities caused by medicinal substances or drugs of abuse given to or taken by the mother, or to which she is inadvertently exposed during the manufacture of such substances. The concept excludes abnormalities resulting from exposure to non-medicinal chemicals in the environment.	1.96	1
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	1.96	1
Porphyria [description not available]	7.37	2
Porphyrias A diverse group of metabolic diseases characterized by errors in the biosynthetic pathway of HEME in the LIVER, the BONE MARROW, or both. They are classified by the deficiency of specific enzymes, the tissue site of enzyme defect, or the clinical features that include neurological (acute) or cutaneous (skin lesions). Porphyrias can be hereditary or acquired as a result of toxicity to the hepatic or erythropoietic marrow tissues.	2.37	2
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	1.99	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	1.99	1

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