Products for Research Use Only
RegisterLogin

Imatinib

CAT: 1568-C08595-02Size: 10 mM / 1 mLDry Ice: YesHazardous: No
Product image 1
1 / 1
CAT#:1568-C08595-02Size:10 mM / 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
152459-95-5
Synonyms
STI571, CGP-57148B
SKU
C08595-250mg
Target
PDGFR
Applications
Protein Tyrosine Kinase
Smiles
CC1=C (C=C (C=C1) NC (=O) C2=CC=C (C=C2) CN3CCN (CC3) C) NC4=NC=CC (=N4) C5=CN=CC=C5
Molecular Formula
C29H31N7O
Additionnal Information
Imatinib is a multi-target inhibitor of tyrosine kinase with inhibition for v-Abl, c-Kit and PDGFR, IC50 values are 0.6 μM, 0.1 μM and 0.1 μM in cell-free or cell-based assays, respectively. Imatinib (STI571) induces autophagy.
Storage Conditions
2 years -80 in solvent

Chemical Information

Imatinib

Imatinib is a benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N3-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. Used (as its mesylate salt) for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor and an apoptosis inducer. It is a member of benzamides, a member of pyridines, an aromatic amine, a member of pyrimidines and a N-methylpiperazine. It is functionally related to a benzamide.

CAS Number152459-95-5
PubChem CID5291
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Molecular FormulaC29H31N7O
Molecular Weight493.6
XLogP3.5
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity706
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI
InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
InChIKey
KTUFNOKKBVMGRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imatinib
CAS: 152459-95-5
CID: 5291
Formula: C29H31N7O
MW: 493.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.6
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass493.25900864
Monoisotopic Mass493.25900864
Topological Polar Surface Area86.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T6230-01Imatinib
CS-O-02701Imatinib-d4
FM10813-01Imatinib base
HY-111849-01Imatinib carbaldehyde
T67847-01Imatinib impurities3
T22859-01Imatinib hydrochloride
TRC-I267987-1MGImatinib-d8

Popular Products