## 1,2,3,4,5,6-Hexabromocyclohexane: A Versatile Chemical with Research Significance
1,2,3,4,5,6-Hexabromocyclohexane (HBC) is an organic compound, specifically a cyclohexane with six bromine atoms attached to each carbon atom in the ring. This saturated structure grants it a high degree of stability.
Here's why HBC is important for research:
**1. Flame Retardant:** HBC is a highly effective flame retardant. It acts by releasing bromine radicals during combustion, interrupting the chain reaction that propagates fire. This property makes it valuable for use in polymers, plastics, textiles, and electronics.
**2. Synthesis Intermediate:** HBC's structure and reactivity make it a versatile intermediate in organic synthesis. It can be used to create other compounds with unique properties, particularly in the synthesis of cyclic and acyclic brominated compounds.
**3. Physical Properties Research:** The highly symmetrical structure and high bromine content of HBC make it an interesting model compound for studies in physical chemistry. It exhibits unique physical properties such as high density, low vapor pressure, and strong intermolecular interactions. These properties make it suitable for research on crystallography, spectroscopy, and phase transitions.
**4. Environmental Studies:** HBC is a persistent organic pollutant (POP), meaning it breaks down very slowly in the environment. This persistence can lead to bioaccumulation in organisms and poses potential environmental risks. Research on HBC helps understand its environmental fate, degradation pathways, and the potential for remediation.
**5. Biomedical Research:** Although HBC is not currently used in medicine, its unique structure and potential for modification makes it an interesting target for potential drug development. Researchers explore its interaction with biological systems, potentially leading to new applications in treatment of various diseases.
**However, it's crucial to note the drawbacks:**
* **Toxicity:** HBC exhibits toxicity, especially to aquatic life, and has been linked to reproductive and developmental problems in animals.
* **Environmental Persistence:** Its slow degradation and potential for bioaccumulation raises concerns about its impact on the environment.
* **Regulation:** Due to its toxicity and persistence, HBC is regulated in many countries. This can limit its use and research in certain areas.
Overall, 1,2,3,4,5,6-hexabromocyclohexane is a unique compound with valuable properties for research. However, its potential risks must be carefully considered, and its applications should be assessed with caution. Research on HBC aims to understand its properties, find safer alternatives, and develop new uses for this versatile chemical.
ID Source | ID |
---|---|
PubMed CID | 74603 |
CHEMBL ID | 444236 |
CHEBI ID | 93940 |
SCHEMBL ID | 459442 |
MeSH ID | M0484326 |
Synonym |
---|
benzene hexabromide |
HMS3268H22 |
cyclohexane, 1,2,3,4,5,6-hexabromo- |
AKOS015836040 |
cyclohexane,2,3,4,5,6-hexabromo- |
nsc7908 |
1837-91-8 |
nsc-7908 |
jak2 inhibitor ii |
1,2,3,4,5,6-hexabromocyclohexane , |
NCGC00092358-01 |
H0368 |
1,2,3,4,5,6-hexabromo-cyclohexane |
CHEMBL444236 |
A812818 |
1,2,3,4,5,6-hexakis(bromanyl)cyclohexane |
FT-0633875 |
S5902 |
BRD-K06817181-001-01-5 |
DTXSID4052687 |
SCHEMBL459442 |
QFQZKISCBJKVHI-UHFFFAOYSA-N |
1,2,3,4,5,6-hexabromocyclohexane # |
HB1428 |
c6h6br6 |
mfcd00059127 |
CHEBI:93940 |
1,2,3,4,5,6-hexabromocyclohexane, >=98% (hplc) |
J-011778 |
Q27165694 |
jak2 inhibitor ii - cas 1837-91-8 |
HMS3677C10 |
HMS3413C10 |
1,2,3,4,5,6-hexabromocyclohexane;nsc7908 |
NCGC00092358-02 |
T71979 |
1,2,3,4,5,6-hexabrom-cyclohexan (i(2)-form) |
HY-107594 |
BAA83791 |
CS-0028930 |
Excerpt | Reference | Relevance |
---|---|---|
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs." | ( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019) | 0.51 |
Role | Description |
---|---|
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2). |
[role 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] |
Class | Description |
---|---|
bromohydrocarbon | A compound derived from a hydrocarbon by replacing a hydrogen atom with a bromine atom. |
bromoalkane | Any haloalkane that consists of an alkane substituted by at least one bromine atom. |
[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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 25.1189 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 28.1838 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
15-lipoxygenase, partial | Homo sapiens (human) | Potency | 39.8107 | 0.0126 | 10.6917 | 88.5700 | AID887 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 79.4328 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 16.8159 | 0.1800 | 13.5574 | 39.8107 | AID1460; AID1468 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 19.9526 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0398 | 16.7842 | 39.8107 | AID995 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 6.4776 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
cytochrome P450 3A4 isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0316 | 10.2792 | 39.8107 | AID884; AID885 |
Gamma-aminobutyric acid receptor subunit pi | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | Potency | 19.9526 | 0.3162 | 12.7657 | 31.6228 | AID881 |
Gamma-aminobutyric acid receptor subunit beta-1 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit delta | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit gamma-1 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit gamma-3 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 19.9526 | 0.0063 | 8.2350 | 39.8107 | AID881 |
Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit beta-3 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
GABA theta subunit | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
Gamma-aminobutyric acid receptor subunit epsilon | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
iron ion binding | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
calcium ion binding | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
protein binding | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
lipid binding | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
linoleate 13S-lipoxygenase activity | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
arachidonate 8(S)-lipoxygenase activity | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
arachidonate 15-lipoxygenase activity | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
linoleate 9S-lipoxygenase activity | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID360729 | Inhibition of human JAK2 V617F mutant expressed in COS7 cells | 2007 | The Journal of biological chemistry, Feb-09, Volume: 282, Issue:6 | Erlotinib effectively inhibits JAK2V617F activity and polycythemia vera cell growth. |
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 3 (50.00) | 29.6817 |
2010's | 3 (50.00) | 24.3611 |
2020's | 0 (0.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (17.74) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |