Pregn-5-en-20-one, 3beta-hydroxy-

HCID 1027

기본 정보

CAS
145-13-1
표준 SMILES
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
InChIKey
ORNBQBCIOKFOEO-UHFFFAOYSA-N
분자식
C21H32O2
평균 분자량
316.5 g/mol
단동위원소 질량
316.24023026

이름 및 식별자

우선 이름
Pregn-5-en-20-one, 3beta-hydroxy-
IUPAC
1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
영어명
Pregnenolone
분자식
C21H32O2
분자량
316.48

이름 및 동의어

F3161-00351-{7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-one.DELTA.5-Pregnenolone5-Pregnen-3.beta.-ol-20-oneNSC-1616Pregn-5-en-20-one, 3-hydroxy-NSC-18158s1914Pregn-5-en-20-one, 3.beta.-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanonePregnenolone (racemic)Pregnenolone [M+H]+
이름 더 보기
3β-Hydroxypregn-5-en-20-onePregneloneprenenolone5-pregnen-3B-ol-20-one5-pregnen-3β-ol-20-oneDELTA5-PREGNEN-3BETA-OL-20-ONE5-PregZK-5553-20-oneprenolon
SCHEMBL9926759HMS5080P03SMSSF-00540753|A-Hydroxy-pregn-5-ene-20-oneLCA57454NSC181583|?-Hydroxy-pregn-5-ene-20-oneEBC-11071

데이터베이스 식별자

CAS
145-13-1
PubChem CID
1027

물성

구조 계산 물성

XLogP
4.2
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
23

물리화학적 성질

녹는점
188 · 188-190 °C
끓는 점
395.89 °C · 395.89°C (rough estimate)
밀도
1.0382 · 1.0382 (rough estimate)
증기압
0 · 0-0Pa at 20-25℃
굴절률
1.5344 · 1.5344 (estimate)
인화점
9 ℃ · 9℃

화학적 성질

white to off-white powder

안전 및 규제

안전 데이터

wgk
3
rtecs
TU5560700
ridadr
UN 1648 3 / PGII
HS 번호
29372900
safety_code
22-24/25
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2

화학 및 산업

응용 분야 · 3건

개요Pregnenolone serves as the common precursor in the formation of the adrenocorticoids and other steroid hormones. This C21 steroid is converted via enzymatic oxidations and isomerization of the double bond to a number of physiologically active C21 steroids, including the female sex hormone progesterone and the adrenocorticoids hydrocortisone (cortisol), corticosterone, and aldosterone. Oxidative cleavage of the two-carbon side chain of pregnenolone and subsequent enzymatic oxidations and isomerization lead to C19 steroids, including the androgens testosterone and dihydrotestosterone. The final group of steroids, the C18 female sex hormones, are derived from oxidative aromatization of the A ring of androgens to produce estrogens.

용도Pregnenolone is a steroid hormone involved in the steroidogenesis of progesterone, mineralocorticoids, glucocorticoids, androgens, and estrogens. As such it is a prohormone. Pregnenolone is a GABAA an tagonist and increases neurogenesis in the hippocampus. It is a modulator of cytochrome P 450-3A

일반 설명Pregnenolone is an endogenous steroid hormone involved in the biological synthesis of other hormones. Pregnenolone is monitored as an ancillary test for congenital adrenal hyperplasia (CAH), particularly in situations where diagnosis of 21-hydroxylase and 11-hydroxylase deficiency has been ruled out. This Certified Spiking Solution is suitable for use in LC-MS/MS testing methods as a starting material in the preparation of calibrators, controls and linearity standards.

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

추가 설명

정의ChEBI: A 20-oxo steroid that is pregn-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 20.

관련 반응

4건

화합물 노트

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