기본 정보
- CAS
154992-24-2- 표준 SMILES
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO- InChIKey
ARBYGDBJECGMGA-UHFFFAOYSA-N- 분자식
- C17H18F3N3O3
- 평균 분자량
- 369.34 g/mol
- 단동위원소 질량
- 369.1300261
개요
a topically active non-steroidal antiandrogen; structure given in first source
이름 및 식별자
- 우선 이름
- 4-(3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
- 영어명
- RU 58841
- 분자식
- C17H18F3N3O3
- 분자량
- 369.34
이름 및 동의어
154992-24-2RU 58841RU-58841RU588410D8FJQ0ADW4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrileBenzonitrile, 4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)-DTXSID20165781Benzonitrile, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-4-(3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrileRefChem:912121DTXCID8088272
이름 더 보기
PSK-3841HMR-3841CS-637RU 5884RU 58884154RU 58841Ru58841 CASRU 58841(RU-58841)
4-(3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrileCHEMBL9337MFCD00925776PSK-3841; HMR-38414-(4,4-Dimethyl-2,5-dioxo-3-(4-hydroxybutyl)-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile4-[3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrileUNII-0D8FJQ0ADW
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 84.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 611
물리화학적 성질
- 끓는 점
- 493.6 · 493.6±55.0 °C(Predicted)
- 밀도
- 1.39 · 1.39
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 33 mg/ml; · DMF: 33 mg/ml; DMSO: 25 mg/ml; Ethanol: 33 mg/ml; Ethanol:PBS(pH 7.2) (1:5): 0.16 mg/ml
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 15.09 · 15.09±0.10(Predicted)
- 색상
- White to off-white
- InChI
- InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
- InChIKey
- ARBYGDBJECGMGA-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC=C(N2C(=O)N(CCCCO)C(C)(C)C2=O)C=C1C(F)(F)F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H290
화학 및 산업
응용 분야
개요RU-58841 is a non-steroidal antiandrogen that binds to the androgen receptor (Kd = 1.8, 1.1, 5.6, 1.3, and 1.4 nM for human, rat, mouse, hamster prostate, and hamster flank organ receptors, respectively). In vivo, topical administration of RU-58841 (1-100 μg per animal) reduces size of the flank organ without affecting sex organs in a dose-dependent manner in hamsters. It has no effect on sex organ weight in intact rats when administered percutaneously, subcutaneously, or orally at doses up to 1 mg per animal. RU-58841 (5% v/v) also induces hair regrowth in the bald frontal scalps of postpubertal stumptailed macaques, a model for male pattern baldness.
용도RU 58841, is a specific androgen receptor antagonist or anti-androgen, that has shown to have effect on hair growth.
제조 방법
RU58841 is active against baldness and is commercially available. The previously reported synthesis uses phosgene, three discrete inert atmosphere steps and three steps that require flash chromatography. Our synthesis uses no phosgene, only one inert atmosphere step and does not require flash chromatography. Alternative synthesis of the anti-baldness compound RU58841
상·하류 제품 정보
상류 원료
공급사100 곳
北京华美互利生物化工
관련 반응
15건
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