6beta-Hydroxytestosterone
6β-hydroxy Testosterone · Nsc 9721 · 6BETA-HYDROXYTESTOSERONE · Testosterone Impurity 11 · 6β,17β-androst-4-en-3-one · 6β-Hydroxytestosterone D7 · D6-6β-Hydroxytestosterone · 6beta-Hydroxytestosterone
식별자 및 물리적 특성
| CAS No. | 62-99-7 |
|---|---|
| 분자식 | C19H28O3 |
| 평균 분자량 | 304.4 g/mol |
| 단동위원소 질량 | 304.20384475 g/mol |
| SMILES | C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O |
| InChIKey | XSEGWEUVSZRCBC-ZVBLRVHNSA-N |
| PubChem CID | 65543 |
| ChEMBL | CHEMBL2074878 |
| ChEBI | CHEBI:34477 |
| EC No. | 636-305-6 |
| DTXSID | DTXSID201018939 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 57.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 539 |
| 지질 | Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202] |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 172 °C≥205 °C |
| Physical Description | Solid |
| 끓는 점 | 479.8±45.0 °C(Predicted) |
| 밀도 | 1.19±0.1 g/cm3(Predicted) |
| 인화점 | 9℃ |
| 저장 조건 | 2-8°C |
| 용해도 | Acetonitrile: 1 mg/mlEthanol: 1 mg/mlMethanol: 1 mg/ml |
| 물리적 상태 | 결정성 고체 |
| pKa(산도 계수) | 13.98±0.70(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 주요 응용 | 임상 시험 |
| InChI | 1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1 |
| InChIKey | XSEGWEUVSZRCBC-ZVBLRVHNSA-N |
| SMILES | C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
화학적 성질
White Solid
안전 및 규제
| GHS 분류 | DangerH351 (100%): Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Carc. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN1230 - class 3 - PG 2 - Methanol, solution |
| 관세 코드 | 29372290 |
| 위험 문구(R) | 61-40-39/23/24/25-23/24/25-11 |
| 위험 표시 | Xn,T,F |
| 안전 문구(S) | 53-22-36/37/39-45-36/37-16-7 |
| 위험 등급 | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
| 저장 분류 | 3 - Flammable liquids |
용도
개요
CYP3A4 and CYP3A5 are cytochrome P450 enzymes whose expression is induced by glucocorticoids and certain xenobiotics, including many drugs and chemical carcinogens. They mediate the metabolism of xenobiotics as well as certain endobiotics, including steroid hormones. CYP3A4 and CYP3A5 are cytochrome P450 enzymes whose expression is induced by glucocorticoids and certain xenobiotics, including many drugs and chemical carcinogens. They mediate the metabolism of xenobiotics as well as certain endobiotics, including steroid hormones. 6β-hydroxy Testosterone is a major metabolite produced from testosterone by the actions of CYP3A4 and CYP3A5, accounting for 75-80% of all metabolites formed from testosterone. The biological effects of 6β-hydroxy testosterone have been poorly studied.
용도
A metabolite of Testosterone. CONTROLLED SUBSTANC
일반 설명
A Certified Spiking Solution suitable for use as starting material in calibrators or controls for a variety of LC/MS or GC/MS applications from clinical and diagnostic testing to endocrinology and sports testing. 6-Hydroxytestosterone is a major urinary metabolite of testosterone, a hormone from the androgen group of steroids. Testosterone is an important sex hormone and anabolic steroid used as a performance-enhancing drug.