CAS 145-14-2 20alpha-Dihydroprogesterone (HCID 8956)

기본 정보

CAS: 145-14-2
표준 SMILES: C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: RWBRUCCWZPSBFC-RXRZZTMXSA-N
분자식: C21H32O2
평균 분자량: 316.5 g/mol
단동위원소 질량: 316.24023026

개요

(20S)-20-hydroxypregn-4-en-3-one is a 20-hydroxypregn-4-en-3-one. It has a role as a mouse metabolite and a human metabolite.

이름 및 식별자

우선 이름: 20alpha-Dihydroprogesterone
IUPAC: (8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
현지명: 4-프레그넨-20-알파-올-3-원
영어명: 4-Pregnen-20-alpha-ol-3-one
분자식: C21H32O2
분자량: 316.48

이름 및 동의어

145-14-220(S)-Hydroxyprogesterone(20S)-20-Hydroxypregn-4-en-3-oneDIHYDROPROGESTERONE20alpha-Dihydroprogesterone20alpha-Hydroxyprogesterone20-alpha-Dihydroprogesterone20-alpha-Hydroxyprogesterone20alpha-Hydroxypregn-4-en-3-onePregn-4-en-3-one, 20-hydroxy-, (20S)-20alpha-Hydroxydihydroprogesterone(S)-20-Hydroxypregn-4-en-3-one

이름 더 보기

4-프레그넨-20-알파-올-3-원C0404220α-OH-PNSC 6863020α-ProgerolProgesterol-20α20-alpha-progerol20α-OH-Progesteroneprogesterol-20-alpha

Pregn-4-en-3-one, 20-alpha-hydroxy-DTXSID1090476745630A64ACPregn-4-en-3-one, 20alpha-hydroxy-CHEBI:28453NSC-6863020 alpha Dihydroprogesterone20 alpha Hydroxyprogesterone

데이터베이스 식별자

CAS

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 23
형식 전하: 0
복잡도: 550

실험 및 물리화학적 성질

LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

Melting Point126 - 131 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 171 · 171-172 °C
끓는 점: 451.7 · 451.7±14.0 °C(Predicted)
밀도: 1.13 g/cm3 · 1.13 g/cm3
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 15.05 · 15.05±0.20(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey: RWBRUCCWZPSBFC-RXRZZTMXSA-N
SMILES: C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@@H](O)C)CC3)CC2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesCarc. 2 (100%)

안전 데이터

wgk: 3
rtecs: TU5559900

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Compounds that interact with PROGESTERONE RECEPTORS in target tissues to bring about the effects similar to those of PROGESTERONE. Primary actions of progestins, including natural and synthetic steroids, are on the UTERUS and the MAMMARY GLAND in preparation for and in maintenance of PREGNANCY.

Tissue LocationsPlacenta

Cellular LocationsCytoplasm

응용 분야

용도Δ4-Pregnen-20α-ol-3-one is the main metabolite of Progesterone (P755900). Studies shows regulation of estrogen receptor levels in breast cancer by Δ4-Pregnen-20α-ol-3-one and other progesterone metabolites.

공급사67 곳

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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