기본 정보
- CAS
62-99-7- 표준 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- 분자식
- C19H28O3
- 평균 분자량
- 304.4 g/mol
- 단동위원소 질량
- 304.20384475
개요
6beta-hydroxytestosterone is a 17beta-hydroxy steroid that is testosterone bearing an additional hydroxy substituent at the 6beta-position. It has a role as an androgen, a human metabolite and a Daphnia magna metabolite. It is a 17beta-hydroxy steroid, a 6beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and an androstanoid. It is functionally related to a testosterone.
이름 및 식별자
- 우선 이름
- 6beta-Hydroxytestosterone
- IUPAC
- (6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- 영어명
- 6beta-Hydroxytestosterone
- 분자식
- C19H28O3
- 분자량
- 304.42
이름 및 동의어
6beta-Hydroxytestosterone62-99-76beta,17beta-Dihydroxyandrost-4-en-3-one2GJX0P354ZDTXSID201018939CHEBI:34477NSC-9721(6beta,17beta)-6,17-dihydroxyandrost-4-en-3-oneAndrost-4-en-3-one, 6,17-dihydroxy-, (6beta,17beta)-6 beta-hydroxytestosteroneRefChem:544402androst-4-en-3-one, 6,17-dihydroxy-, (6 beta,17 beta)-
이름 더 보기
6β-hydroxy TestosteroneNsc 97216BETA-HYDROXYTESTOSERONETestosterone Impurity 116β,17β-androst-4-en-3-one6β-Hydroxytestosterone D7D6-6β-Hydroxytestosterone2H6]-6β-Hydroxytestosterone4-Androsten-6b,17b-diol-3-one
DTXCID3014769526|A-Hydroxy Testosterone6-beta-hydroxytestosterone6b-Hydroxy Testosterone(6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one(6R,8R,9S,10R,13S,14S,17S)-6,17-Dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one6?-Hydroxy Testosterone6b-Hydroxy Testosterone (100 ug/mL in Methanol)
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 539
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point172 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 205 °C · ≥205 °C
- 끓는 점
- 479.8 · 479.8±45.0 °C(Predicted)
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- 1 mg/ml; · Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 13.98 · 13.98±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- 주요 응용
- 임상 시험
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H351 (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.
유해성 정보
Hazard Classes and CategoriesCarc. 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- HS 번호
- 29372290
- risk_code
- 61-40-39/23/24/25-23/24/25-11
- hazard_code
- Xn,T,F
- safety_code
- 53-22-36/37/39-45-36/37-16-7
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Metabolism/Metabolites6alpha-Hydroxytestosterone is a known human metabolite of testosterone.
Tissue LocationsKidney
Cellular LocationsCytoplasm
응용 분야
개요CYP3A4 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.
용도A metabolite of Testosterone. CONTROLLED SUBSTANC
일반 설명A 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.
공급사44 곳
汇智和源生物技术(苏州)有限公司010-59755330 13701268334 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…