基本情報
- CAS
3764-87-2- 標準SMILES
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21- InChIKey
YSGQGNQWBLYHPE-CFUSNLFHSA-N- 分子式
- C19H28O2
- 平均分子量
- 288.4 g/mol
- 単同位体質量
- 288.20893013
概要
Trestolone (7α-methyl-19-nortestosterone) is a synthetic androgen developed by the Population Council as a potential candidate drug for use in hormonal male contraceptive methods. In males, regular administration of sufficient quantities of trestolone induces a state of temporary infertility.
名称と識別子
- 優先名称
- Trestolone
- IUPAC
- (7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- 現地名
- 17β-ヒドロキシ-7α-メチルエストラ-4-エン-3-オン
- 英語名
- Trestolone
- 分子式
- C19H28O2
- 分子量
- 288.42
名称と別名
TrestoloneMENT3764-87-27alpha-Methyl-19-nortestosterone7alpha-Methylnandrolone19-Nor-methyltestosterone17beta-Hydroxy-7alpha-methylestr-4-en-3-one19-Nor-7alpha-methyltestosteroneMENTR7alpha-Methyl-3-oxo-4-estren-17beta-ol17beta-Hydroxy-7alpha-methylestr-4-enoneDTXSID20863270
名称をさらに表示
7α-メチル-19-NTトレストロン17β-ヒドロキシ-7α-メチルエストラ-4-エン-3-オン17β-ヒドロキシ-7α-メチル-19-ノルアンドロスタ-4-エン-3-オン7α-メチル-19-ノルテストステロン(1S,3aS,3bR,4R,9aR,9bS,11aS)-1-ヒドロキシ-4,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オンQulong7α-Methyl-19-NTSong holds dragonMythyl testosterone7α-Methylnandrolone7α-Methyl-19-nortestosterone19-nor-7a-methyltestosterone(7R)-17-Hydroxy-7,13-diMethyl-
7alpha-Methyl-17beta-hydroxy-4-estren-3-one17-hydroxy-7-methyl-4-estren-3-oneRU 2733340P3287I94HMEORU-27333MENT steroidNSC-142229
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 494
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 融点
- 145 · 145-146 °C
- 沸点
- 375.48 °C · 375.48°C (rough estimate)
- 比重(密度)
- 0.9447 · 0.9447 (rough estimate)
- 屈折率
- 1.622 · 1.6220 (estimate)
- 貯蔵温度
- -20 °C · Store at -20°C
- 外見
- Solid
- 酸解離定数(Pka)
- 15.06 · 15.06±0.60(Predicted)
- 色
- White to off-white
- 水溶解度
- 92 mg/L · 92mg/L(37℃)
- InChI
- InChI=1/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14+,15-,16+,17+,18-,19+/s3
- InChIKey
- YSGQGNQWBLYHPE-IMRYQKHINA-N
- SMILES
- [C@@]12([H])[C@H](C)CC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O |&1:0,2,11,13,17,19,22,r|
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P263, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- 注意喚起語
- 危険
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H315
化学と産業
薬理情報
Mechanism of Action
Trestolone is a potent inhibitor of the release of the luteinizing hormone (LH) and follicle stimulating hormone (FSH). As spermatogenesis requires both testosterone and FSH, it is impaired by the reduction in FSH caused by trestolone as well as the reduction in LH, and subsequent reduction in testosterone.
MeSH Pharmacological ClassificationPostcoital contraceptives which owe their effectiveness to hormonal preparations.
応用分野
説明Trestolone, also known as 7α-methyl-19-nortestosterone (MENT), is an experimental androgen/anabolic steroid (AAS) and progestogen medication which has been under development for potential use as a form of hormonal birth control for men and in androgen replacement therapy for low testosterone levels in men but has never been marketed for medical use.
使用Trestolone is a synthetic androgen used as a potential hormonal male contraceptive method that induces a state of termporary infertility.
上流・下流製品情報
下流製品
サプライヤー39 社
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Zhuzhou Yaozhijie Chemical Co., LTD+66-955486952 · [email protected]
関連反応
5 件
化合物ノート
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