2-Pyrrolidinecarboxamide, 1-[(2S)-2-[4-[4-[[[6-cyclopropyl-4-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]-8-quinazolinyl]oxy]methyl]phenyl]-1H-1,2,3-triazol-1-yl]-3-methyl-1-oxobutyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (2S,4R)-
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기본 정보
- CAS
2821793-99-9- 표준 SMILES
Cc1ncsc1-c1ccc([C@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)n2cc(-c3ccc(COc4c(-c5c(C)c(F)cc6[nH]ncc56)c(C5CC5)cc5c(N6C[C@@H]7C[C@H]6CN7)nc(OC6CCOCC6)nc45)cc3)nn2)cc1- InChIKey
XXWMEQMGQNHRAF-WFJRNIGCSA-N- 분자식
- C60H65FN12O7S
- 평균 분자량
- 1,117.3 g/mol
이름 및 식별자
- 우선 이름
- 2-Pyrrolidinecarboxamide, 1-[(2S)-2-[4-[4-[[[6-cyclopropyl-4-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]-8-quinazolinyl]oxy]methyl]phenyl]-1H-1,2,3-triazol-1-yl]-3-methyl-1-oxobutyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (2S,4R)-
- 영어명
- 2-Pyrrolidinecarboxamide, 1-[(2S)-2-[4-[4-[[[6-cyclopropyl-4-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]-8-quinazolinyl]oxy]methyl]phenyl]-1H-1,2,3-triazol-1-yl]-3-methyl-1-oxobutyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (2S,4R)-
- 분자식
- C60H65FN12O7S
- 분자량
- 1117.3
이름 및 동의어
KRAS G12D inhibitor 17Setidegrasib/KRAS G12D inhibitor 17Setidegrasib/ASP-3082/KRAS G12D inhibitor 17(2S,4R)-1-[(2S)-2-(4-{4-[({6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl}oxy)methyl]phenyl}-1H-1,2,3-triazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide2-Pyrrolidinecarboxamide, 1-[(2S)-2-[4-[4-[[[6-cyclopropyl-4-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]-8-quinazolinyl]oxy]methyl]phenyl]-1H-1,2,3-triazol-1-yl]-3-methyl-1-oxobutyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (2S,4R)-
데이터베이스 식별자
- CAS
2821793-99-9- PubChem CID
- 164875418
물성
물리화학적 성질
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.61 · 11.61±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사13 곳
天津欣康佑生物科技有限公司19922659386 19922659386 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
奥夫仑医药（四川）有限公司17336178085 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
南京奕明医药科技有限公司19850700912; 19850700912 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
吉林省沃达生物科技有限公司13504435624 · [email protected]
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