에티스테론

Ethisterone

HCID 5284557CAS 434-03-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
CHNXZKVNWQUJIB-CEGNMAFCSA-N
분자식
C21H28O2
평균 분자량
312.4 g/mol
단동위원소 질량
312.20893014

개요

Ethisterone is a 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol. It has a role as a drug metabolite and a progestin. It is a tertiary alcohol, a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and a terminal acetylenic compound. It is functionally related to a testosterone.

이름 및 식별자

우선 이름
Ethisterone
IUPAC
(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
현지명
에티스테론
영어명
Ethisterone
분자식
C21H28O2
분자량
312.45

이름 및 동의어

ethisterone434-03-7AethisteronEtisteronaNugestoralSyngestrotabsTrosinonePregneninoloneOra-LutinEthynyltestosterone17alpha-EthynyltestosteroneAethisteronum
이름 더 보기
에티스테론Progestoral17A-ETHYNYLTESTOSTERONEPronePregninGestoralNSC-9565ProdoxanProlutol
EthisteronumProgestoletsAnhydrohydroxyprogesteroneAnhydroxyprogesteroneProdroxanProduxanProgestabPranone

데이터베이스 식별자

CAS
434-03-7
PubChem CID
5284557
DTXSID
DTXSID2023016
ChEMBL
CHEMBL241694
ChEBI
CHEBI:34749
UNII
P201BVY1MJ
EC Number
207-096-5
Nikkaji
J5.729K

물성

구조 계산 물성

XLogP
3.5
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
23

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section180.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2023016]

물리화학적 성질

녹는점
263 · 263-269 °C (lit.)
끓는 점
392.36 °C · 392.36°C (rough estimate)
밀도
1.0697 · 1.0697 (rough estimate)
굴절률
33 ° · 33 ° (C=1, Pyridine)
저장 조건
room temp
용해도
0.05 mg/mL · Soluble to 0.05 mg/mL (0.16 mM) in DMSO

화학적 성질

Off-White Powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H360 (95.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]

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

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 01-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2184
Hazard Classes and CategoriesRepr. 1A (95.2%)

안전 데이터

wgk
3
rtecs
TU5570250
ridadr
UN 2811
HS 번호
29372390
risk_code
40-48-61
hazard_code
Xn,T

화학 및 산업

약리 정보

ATC Code · 2건

G - Genito urinary system and sex hormones

QG - Genito urinary system and sex hormones

Tissue LocationsKidney
Cellular LocationsCytoplasm

용도 및 제조

Use ClassificationPharmaceuticals
응용 분야 · 3건

개요Ethisterone is an orally bioavailable synthetic progestin and a derivative of testosterone (Item Nos. ISO60154 | 15645) that binds to progesterone and androgen receptors (EC50s = 23 and 23.1 nM, respectively, in yeast). Ethisterone (1 μM) downregulates progesterone receptors in MCF-7 cells.

용도Ethisterone has been used as a component in Dulbecco′s modified eagle medium (DMEM) to culture the transfected COS-7 cell for transient transfection assay andgene transfection assay.

일반 설명Ethisterone is aprogestogen. It is a danazol derivative.

상·하류 제품 정보

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
武汉灵灵九生物科技有限公司15623309010
Hebei shuoxi biotechnology co. LTD+8613081092107

추가 설명

정의ChEBI: A 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol.

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