Basic information
- CAS
2569527-64-4- Standard SMILES
Cc1ccc2c(-c3nc(Nc4cc(CN5C[C@@H](C)N[C@@H](C)C5)cc(C5CC5)c4)ncc3Cl)c[nH]c2c1- InChIKey
FZLSDZZNPXXBBB-KDURUIRLSA-N- Molecular formula
- C29H33ClN6
- Average molar mass
- 501.1 g/mol
Overview
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).
Names & identifiers
- Preferred name
- 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
- English name
- 2-Pyrimidinamine, 5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)-
- Molecular formula
- C29H33ClN6
- Molecular weight
- 501.07
Names & synonyms
tuspetinibHM43239HM-43239example 8 [US10870639B2]example 8 (US10870639B2)RefChem:192598FLT3 Inhibitor HM43239HM 43239FMS-like Tyrosine Kinase 3 Inhibitor HM432392294874-49-82569527-64-4C0WUS7XXE9
Show more names
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
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- Boiling point
- 693.1 · 693.1±65.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- solubility
- 125 · DMSO:125.0(Max Conc. mg/mL);249.47(Max Conc. mM)
- 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
Chemistry & industry
Applications
DescriptionHM43239 is an orally active small molecule inhibitor of FLT3 that selectively inhibits not only FLT3 wild type, ITD mutants or TKD mutations, but also FLT3 ITD/TKD double mutations. HM43239 directly inhibits the kinase activity of FLT3 as a reversible Type I inhibitor and effectively modulates downstream p-STAT5 and p-ERK. HM43239 also demonstrated inhibition of SYK, JAK1/2 and TAK1, known to be involved in tumor cell proliferation and/or differentiation HM43239 monotherapy induced dose-dependent regression of tumor growth in FLT3 wild-type and FLT3 mutated leukemia cancer cell line.
Suppliers21 total
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]
Related reactions
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Compound notes
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