기본 정보
- CAS
1816331-63-1- 표준 SMILES
C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)c1- InChIKey
IVFDDVKCCBDPQZ-MSOLQXFVSA-N- 분자식
- C28H28FN5O3
- 평균 분자량
- 501.6 g/mol
- 단동위원소 질량
- 501.21761793
이름 및 식별자
- 우선 이름
- (R)-1-(4-fluorobenzyl)-N-(3-((S)-1-hydroxyethyl)phenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
- IUPAC
- (7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
- 영어명
- GSK321
- 분자식
- C28H28FN5O3
- 분자량
- 501.55
이름 및 동의어
GSK3211816331-63-1GSK 321(R)-1-(4-fluorobenzyl)-N-(3-((S)-1-hydroxyethyl)phenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide(R,S)-GSK321(7r)-1-(4-Fluorobenzyl)-N-{3-[(1s)-1-Hydroxyethyl]phenyl}-7-Methyl-5-(1h-Pyrrol-2-Ylcarbonyl)-4,5,6,7-Tetrahydro-1h-Pyrazolo[4,3-C]pyridine-3-Carboxamide(7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide(R)-1-(4-Fluorobenzyl)-N-(3-((S)-1-hydroxyethyl)phenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide; GSK 321orb1697047CHEMBL4215717SCHEMBL20067448SCHEMBL29476036
이름 더 보기
GSK-321 (GSK3211H-Pyrazolo[4,3-c]pyridine-3-carboxamide, 1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-, (7R)-
BDBM195601GLXC-06981EX-A14122AKOS040751966DA-73917HY-18948MS-29313CS-0014661
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 809
물리화학적 성질
- 녹는점
- 120 °C · >120°C (dec.)
- 끓는 점
- 704.2 · 704.2±60.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.26 · 12.26±0.70(Predicted)
- 색상
- 흰색에서 연한 노란색
화학 및 산업
응용 분야
용도GSK 321 is a potent and selective IDH1 (isocitrate dehydrogenase 1) mutant inhibitor for the treatment of acute myeloid leukemia.
공급사12 곳
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
苏州宸瑞生物科技有限公司17625585511 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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