4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
Basic information
- CAS
1257628-64-0- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1- InChIKey
FSLXBWOKEGSUPS-UHFFFAOYSA-N- Molecular formula
- C29H27F3N6O
- Average molar mass
- 532.6 g/mol
Names & identifiers
- Preferred name
- 4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
- IUPAC
- 4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
- English name
- GZD856
- Molecular formula
- C29H27F3N6O
- Molecular weight
- 532.56
Names & synonyms
GZD8561257628-64-04-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamideCHEMBL4794765CID 51037822orb1709507orb1909901SCHEMBL3432243FSLXBWOKEGSUPS-UHFFFAOYSA-NBDBM50555129AKOS040733345DA-53803
Show more names
GZD856,GZD-856Benzamide, 4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)-
PD156733HY-101489CS-0021544T115234-Methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
Database identifiers
- CAS
1257628-64-0- ChEMBL
CHEMBL4794765
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 910
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 12.96 · 12.96±0.70(Predicted)
Chemistry & industry
Applications
DescriptionGZD856 is a novel and orally bioavailable PDGFRα/β inhibitor that has anti-lung cancer properties.
UsesGZD856 formic is a potent and orally active PDGFRα/β inhibitor, with IC50s of 68.6 and 136.6 nM, respectively. GZD856 formic is also a Bcr-AblT315I inhibitor, with IC50s of 19.9 and 15.4 nM for native Bcr-Abl and the T315I mutant. GZD856 formic has antitumor activity[1][2].
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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