Tuspetinib monohydrateProduct ingredient for Tuspetinib
- Name
- Tuspetinib monohydrate
- Drug Entry
- Tuspetinib
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).
- Accession Number
- DBSALT003283
- Structure
Structure for Tuspetinib monohydrate (DBSALT003283)
- Synonyms
- 2-Pyrimidinamine, 5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)-, hydrate (1:1), rel- / 5-Chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazine-1-yl) methyl) phenyl)-4-(6-methyl-1hindol-3-yl) pyrimidin-2-amine monohydrate / 5-Chloro-N-(3-cyclopropyl-5-(((3R,5S)-3,5-dimethylpiperazine-1-yl)methyl)phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine·monohydrate / 5-chloro-N-(3-cyclopropyl-5-{[(3R,5S)-dimethylpiperazin-1-yl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine monohydrate / HM-43239 MONOHYDRATE / HM43239 MONOHYDRATE
- UNII
- 1YT25M37WR
- CAS Number
- 2758339-04-5
- Weight
- Average: 519.09
Monoisotopic: 518.2560875 - Chemical Formula
- C29H35ClN6O
- InChI Key
- ZBXHRUUVJWPXCW-AQDIUKAZSA-N
- InChI
- InChI=1S/C29H33ClN6.H2O/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36;/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35);1H2/t18-,19+;
- IUPAC Name
- 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 hydrate
- SMILES
- O.C[C@H]1CN(CC2=CC(=CC(NC3=NC=C(Cl)C(=N3)C3=CNC4=C3C=CC(C)=C4)=C2)C2CC2)C[C@@H](C)N1
- External Links
- ChemSpider
- 81367590
- Predicted Properties
Property Value Source logP 6.44 Chemaxon pKa (Strongest Acidic) 12.38 Chemaxon pKa (Strongest Basic) 9.49 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 68.87 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 147.38 m3·mol-1 Chemaxon Polarizability 56.93 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon