For research use only. Not for therapeutic Use.
Imatinib Acid(CAT: I045982) is the active carboxylic acid form and a key intermediate in the synthesis and metabolism of Imatinib, a first-generation tyrosine kinase inhibitor (TKI). Imatinib targets BCR-ABL, c-KIT, and PDGFR kinases, making it a cornerstone in the treatment of chronic myeloid leukemia (CML), gastrointestinal stromal tumors (GIST), and other malignancies. As a derivative, Imatinib Acid retains the pharmacophore scaffold critical for kinase inhibition and serves as an important reference standard and synthetic precursor in medicinal chemistry and pharmacokinetics studies. It is valuable for researchers exploring TKI metabolism, drug development, and structure–activity relationships in targeted cancer therapy.
| CAS Number | 2741007-77-0 |
| Synonyms | 3-[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]propanoic acid |
| Molecular Formula | C31H33N7O3 |
| Purity | ≥95% |
| IUPAC Name | 3-[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]propanoic acid |
| InChI | InChI=1S/C31H33N7O3/c1-22-4-9-26(19-28(22)36-31-33-13-10-27(35-31)25-3-2-12-32-20-25)34-30(41)24-7-5-23(6-8-24)21-38-17-15-37(16-18-38)14-11-29(39)40/h2-10,12-13,19-20H,11,14-18,21H2,1H3,(H,34,41)(H,39,40)(H,33,35,36) |
| InChIKey | UBEXHJPGGGMXHS-UHFFFAOYSA-N |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CCC(=O)O)NC4=NC=CC(=N4)C5=CN=CC=C5 |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
