기본 정보
- CAS
2569527-64-4- 표준 SMILES
Cc1ccc2c(-c3nc(Nc4cc(CN5C[C@@H](C)N[C@@H](C)C5)cc(C5CC5)c4)ncc3Cl)c[nH]c2c1- InChIKey
FZLSDZZNPXXBBB-KDURUIRLSA-N- 분자식
- C29H33ClN6
- 평균 분자량
- 501.1 g/mol
개요
Tuspetinib (HM-43239) is under investigation in clinical trial NCT03850574 (Clinical Trial to Evaluate the Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of HM43239 in Patients With Relapsed or Refractory Acute Myeloid Leukemia).
이름 및 식별자
- 우선 이름
- Tuspetinib
- IUPAC
- 5-chloro-N-[3-cyclopropyl-5-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine
- 영어명
- 2-Pyrimidinamine, 5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)-
- 분자식
- C29H33ClN6
- 분자량
- 501.07
이름 및 동의어
tuspetinibHM43239HM-43239example 8 [US10870639B2]example 8 (US10870639B2)RefChem:192598FLT3 Inhibitor HM43239HM 43239FMS-like Tyrosine Kinase 3 Inhibitor HM432392294874-49-82569527-64-4C0WUS7XXE9
이름 더 보기
2-Pyrimidinamine, 5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)-
rel-5-Chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine5-Chloro-N-(3-cyclopropyl-5-(((3S,5R)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine2-Pyrimidinamine, 5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)-, rel-5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-aminetuspetinib [INN]2-Pyrimidinamine, 5-chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethyl-1-piperazinyl)methyl)phenyl)-4-(6-methyl-1H-indol-3-yl)-, rel-5-chloro-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine
데이터베이스 식별자
- CAS
2569527-64-4- ChEMBL
CHEMBL5314420- UNII
- C0WUS7XXE9
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 68.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 725
물리화학적 성질
- 끓는 점
- 693.1 · 693.1±65.0 °C(Predicted)
- 밀도
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- 용해도
- 125 · DMSO:125.0(Max Conc. mg/mL);249.47(Max Conc. mM)
- 산도 계수 (pKa)
- 14.98 · 14.98±0.30(Predicted)
- InChIKey
- FZLSDZZNPXXBBB-KDURUIRLSA-N
- SMILES
- C1(NC2=CC(CN3C[C@H](C)N[C@H](C)C3)=CC(C3CC3)=C2)=NC=C(Cl)C(C2C3=C(NC=2)C=C(C)C=C3)=N1
화학 및 산업
공급사21 곳
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
InvivoChem中国13549236410 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
武汉山海志合生物科技有限公司17771424646 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
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