Imatinib

CAT: 1596-AR-I01287-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I01287-02Size:25 Units

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CAS Number

152459-95-5

Synonyms

N- (4-methyl-3- ((4- (pyridin-3-yl) pyrimidin-2-yl) amino) phenyl) -4- ((4-methylpiperazin-1-yl) methyl) benzamide; alpha- (4-methyl-1-piperazinyl) -3'- ((4- (3-pyridyl) -2-pyrimidinyl) amino) -p-toluidide; 4-[ (4-Methyl-1-piperazinyl) methyl]-N-[4-methyl-3-[[4- (3-pyridinyl) -2-pyrimidinyl]amino]-phenyl]benzamide; 4-[ (4-methyl-1-piperazinyl) methyl]-N-[4-methyl-3-[[4- (3-pyridinyl) -2-pyrimidinyl]amino]phenyl]benzamide; 4-[ (4-methylpiperazin-1-yl) methyl]-N- (4-methyl-3-{[4- (pyridin-3-yl) pyrimidin-2-yl]amino}phenyl) benzamide; 4-[ (4-methyl-1-piperazinyl) -methyl]-N-{4-methyl-3-[[4- (3-pyridinyl) -2-pyrimidinyl]-amino]-phenyl) -benzamide; 4-[ (4-methyl-1-piperazinyl) -methyl]-N-{4-methyl-3-[[4- (3-pyridinyl) -2-pyrimidinyl]-amino]-phenyl}-benzamide; 4-[ (4-methyl-1-piperazinyl) methyl]-N-[4-methyl-3-[ (4- (3-pyridinyl) -2-pyrimidinyl]amino]-phenyl]benzamide

Molecular Formula

C29H31N7O

Molecular Weight

493.62

API Name

Imatinib

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 Number	152459-95-5
PubChem CID	5291
IUPAC Name	4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Molecular Formula	C29H31N7O
Molecular Weight	493.6
XLogP	3.5
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	37
Formal Charge	0
Complexity	706

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

CAS: 152459-95-5

CID: 5291

Formula: C29H31N7O

MW: 493.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	493.6
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	493.25900864
Monoisotopic Mass	493.25900864
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	706
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T6230-01	Imatinib
CS-O-02701	Imatinib-d4
FM10813-01	Imatinib base
HY-111849-01	Imatinib carbaldehyde
TRC-I267987-1MG	Imatinib-d8

Imatinib

Chemical Information

Alternative Products

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