기본 정보
- CAS
1888328-89-9- 표준 SMILES
CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4cnc(N5CCC5)nc4C3)n2)c1- InChIKey
FJRSBGGFLPVXPH-HXUWFJFHSA-N- 분자식
- C29H33ClN8O3
- 평균 분자량
- 577.1 g/mol
이름 및 식별자
- 우선 이름
- (Methylamino)propan-2-ol
- IUPAC
- (2R)-1-[3-[4-[2-(azetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol
- 영어명
- EPZ 025654
- 분자식
- C29H33ClN8O3
- 분자량
- 577.08
이름 및 동의어
1888328-89-9(methylamino)propan-2-olCHEMBL5523577EPZ0025654methylpyrimidin-2-yl)-4-chlorophenoxy)-3-(2R)-1-[3-[4-[2-(azetidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-olGSK35336023;(R)-1-(3-(4-(2-(Azetidin-1-yl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-6-(3,5-dimethylisoxazol-4-yl)-5-methylpyrimidin-2-yl)-4-chlorophenoxy)-3-(methylamino)propan-2-olEPZ-025654C29H33ClN8O3orb1703470EPZ-025654 HClSCHEMBL19503213
이름 더 보기
EPZ 025654GSK 35336023)EPZ 025654 (EPZ025654EPZ025654 HCl,EPZ 025654 HCl(R)-1-(3-(4-(2-(Azetidin-1-yl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-6-(3,5-dimethylisoxazol-4-yl)-5-methylpyrimidin-2-yl)-4-chlorophenoxy)-3-(methylamino)propan-2-ol(2R)-1-[3-[4-[2-(1-Azetidinyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-6-(3,5-dimethyl-4-isoxazolyl)-5-methyl-2-pyrimidinyl]-4- chlorophenoxy]-3-(methylamino)-2-propanol2-Propanol, 1-[3-[4-[2-(1-azetidinyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-6-(3,5-dimethyl-4-isoxazolyl)-5-methyl-2-pyrimidinyl]-4-chlorophenoxy]-3-(methylamino)-, (2R)-
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 859
물리화학적 성질
- 끓는 점
- 751.4 · 751.4±70.0 °C(Predicted)
- 밀도
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.79 · 13.79±0.20(Predicted)
화학 및 산업
공급사8 곳
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd+86-18341751992 +86-15382112998 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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