Basic information
- CAS
567-72-6- Standard SMILES
CC(C)CCCC(C)C1CCC2C3C(=O)C=C4C=CCCC4(C)C3CCC12C- InChIKey
TTXJJFWWNDJDNR-UHFFFAOYSA-N- Molecular formula
- C27H42O
- Average molar mass
- 382.6 g/mol
- Monoisotopic mass
- 382.32356596
Names & identifiers
- Preferred name
- 10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
- IUPAC
- 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
- English name
- cholesta-3,5-dien-7-one
- Molecular formula
- C27H42O
- Molecular weight
- 382.62
Names & synonyms
10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-oneNSC18180NSC134914AKOS024430090ST5125452417-(DIMETHYL-HEXYL)-10,13-DIMETHYL-DODECAHYDRO-CYCLOPENTA(A)PHENANTHREN-7-ONECAY10787cholesta-3,5-dien-7-oneCholesta-3,5-diene-7-one7-Ketocholesta-3,5-dieneCholesta-3,5-diene-7-one-d7
Database identifiers
- CAS
567-72-6- PubChem CID
- 11280
- DTXSID
DTXSID10972143
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 670
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 114 °C · 114 °C
- Boiling point
- 494 · 494.0±12.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 10 mg/ml · Chloroform: 10 mg/ml
- form
- A crystalline solid
- FDA UNII
- 6 XJ9029P2X · 6XJ9029P2X
Chemistry & industry
Applications
UsesDelta3,5-cholestadien-7-one is an oxysterol and a negative allosteric modulator of GABAA receptors. Delta3,5-cholestadien-7-one reduces GABA-induced currents in HEK cells expressing α1β1γ2 or α4β3γ2 subunit-containing GABAA receptors with IC50 values of 1.5 and 1 μM, respectively. Delta3,5-cholestadien-7-one reduces GABA-induced depolarization of peptidergic and non-peptidergic nociceptors, C-LTMRs, and cold thermosensors in isolated mouse dorsal root ganglion (DRG) neurons[1][2].
Suppliers12 total
盐城通铭生物科技有限公司15195160625 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
湖北省法码斯生物科技有限公司027-19050701 13545374703 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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