5alpha-Dihydroprogesterone

HCID 92810

기본 정보

CAS
566-65-4
표준 SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
XMRPGKVKISIQBV-BJMCWZGWSA-N
분자식
C21H32O2
평균 분자량
316.5 g/mol
단동위원소 질량
316.24023026

이름 및 식별자

우선 이름
5alpha-Dihydroprogesterone
IUPAC
(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
영어명
5α-Pregnane-3,20-dione
분자식
C21H32O2
분자량
316.48

이름 및 동의어

566-65-45alpha-Pregnane-3,20-dione3,20-Allopregnanedione5-alpha-Dihydroprogesterone5alpha-Dihydroprogesterone3,20-Dioxo-5alpha-pregnane98G4S1OH0Z(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-oneDTXSID301017277NSC-18319CHEBI:289525alpha DHP
이름 더 보기
5α-dihydroprogesteronePregnane-3,20-dione5α-pregnane-3,20-dione5-Alpha-Dihydro Progesterone-d8ALLOPREGNANDIONEAllopregnanedionePregnane-3,20-dloneEstrone Impurity 235A-PREGNAN-3,20-DIONE
5alpha-DHP5beta DHP5beta-DHP5 alpha Pregnanedione5-alpha-Pregnanedione3,20 Allopregnanedione5 beta Dihydroprogesterone5 alpha Dihydroprogesterone

데이터베이스 식별자

CAS
566-65-4
PubChem CID
92810
DTXSID
DTXSID301017277
ChEMBL
CHEMBL407717
ChEBI
CHEBI:28952
UNII
98G4S1OH0Z
EC Number
209-297-3
Nikkaji
J6.519F

물성

구조 계산 물성

XLogP
4.4
극성 표면적
34.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
23

실험 및 물리화학적 성질

Melting Point200 °C
Physical DescriptionSolid
Kovats Retention Index2665

물리화학적 성질

녹는점
200 °C · 200 °C
끓는 점
429.2 · 429.2±38.0 °C(Predicted)
밀도
1.048 · 1.048±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H351 (50%): Suspected of causing cancer [Warning Carcinogenicity];H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H361fd (50%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%);Acute Tox. 4 (50%);Acute Tox. 4 (50%);Carc. 2 (50%);Repr. 2 (50%)

안전 데이터

wgk
3
rtecs
TU4157150
HS 번호
2937.29.9095

화학 및 산업

약리 정보

Tissue LocationsFibroblasts;Testis
Cellular LocationsExtracellular;Membrane
Metabolite Pathways · 1건

11-beta-hydroxylase deficiency (CYP11B1);17-alpha-hydroxylase deficiency (CYP17);21-hydroxylase deficiency (CYP21);3-Beta-Hydroxysteroid Dehydrogenase Deficiency;Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia due to 21-hydroxylase Deficiency;Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia due to 17 Alpha-hydroxylase Deficiency;Apparent mineralocorticoid excess syndrome;Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH;Corticosterone methyl oxidase I deficiency (CMO I);Corticosterone methyl oxidase II deficiency - CMO II;Total 11 pathways, visit the HMDB page for details

응용 분야

용도(5α)-Pregnane-3,20-dione exerts neuroprotective effects in chronic autoimmune encephalomyelitis (EAE). The neuroactivity of the steroid acts as a therapeutic agent for multiple sclerosis.

공급사100 곳

Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
추가 설명 · 1건

정의ChEBI: 5alpha-pregnane-3,20-dione is a C21-steroid hormone that is 5alpha-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone. It has a role as a human metabolite and a progestogen. It is a 20-oxo steroid, a C21-steroid hormone and a 3-oxo-5alpha-steroid. It is functionally related to a progesterone. It derives from a hydride of a 5alpha-pregnane.

관련 반응

13건

화합물 노트

불러오는 중…