6β-ヒドロキシテストステロン
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
識別子と物理属性
| CAS No. | 62-99-7 |
|---|---|
| 分子式 | C19H28O3 |
| 平均分子量 | 304.4 g/mol |
| 単同位体質量 | 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 |
| 現地名 | 6β-ヒドロキシテストステロン |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 極性表面積 | 57.5 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 22 |
| 形式電荷 | 0 |
| 複雑度 | 539 |
| 脂質 | Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202] |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 融点 | 172 °C≥205 °C |
| Physical Description | Solid |
| 沸点 | 479.8±45.0 °C(Predicted) |
| 密度 | 1.19±0.1 g/cm3(Predicted) |
| 引火点 | 9℃ |
| 貯蔵条件 | 2-8°C |
| 溶解度 | Acetonitrile: 1 mg/mlEthanol: 1 mg/mlMethanol: 1 mg/ml |
| 外観・状態 | A crystalline solid |
| pKa（酸解離定数） | 13.98±0.70(Predicted) |
| 色 | ホワイトからオフホワイト |
| 主な用途 | 臨床検査 |
| 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 |
化学的特性
White Solid
安全性と法規制
| GHS 分類 | 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%) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN1230 - class 3 - PG 2 - Methanol, solution |
| 税関コード | 29372290 |
| 危険文句（R） | 61-40-39/23/24/25-23/24/25-11 |
| 危険表示 | Xn,T,F |
| 安全措置（S） | 53-22-36/37/39-45-36/37-16-7 |
| 危険等級 | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
| 貯蔵分類 | 3 - Flammable liquids |
用途
説明
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.
使用
A metabolite of Testosterone. CONTROLLED SUBSTANC
一般的な説明
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.