Imatinib

Description

Imatinib · CAS 152459-95-5 · C29H31N7O. UNII BKJ8M8G5HI. Melting Point: 226; Melting Point: 226 °C (mesylate salt); Solubility: 1.46e-02 g/L.

Identification

CAS Registry Number	152459-95-5
PubChem CID	5291
Molecular formula	C29H31N7O
IUPAC name	4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
UNII (FDA)	BKJ8M8G5HI

Computed Descriptors

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
Heavy Atom Count	37
Formal Charge	0

Physical & Chemical Properties

Melting Point	226
Melting Point	226 °C (mesylate salt)
Solubility	1.46e-02 g/L
LogP	3.42

Physical description & handling notes

• Solid
• Very soluble in water at pH < 5.5 (mesylate salt)
• 214.6 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

GHS Hazard Classification

Reported hazard statements	H315 (18.2%), H319 (18.2%), H341 (72.7%), H351 (72.7%), H360 (63.6%), H362 (72.7%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >1000
• Use (kg; exact) in Germany (2009): 1300
• Consumption (g per capita; approx.) in Germany (2009): 0.0122
• Consumption (g per capita; exact) in Germany (2009): 0.0159
• Imatinib mesylate (Imatinib) is an oral tyrosine kinase inhibitor that initially received FDA approval for chronic myelogenous leukemia in 2001. Subsequently, it has received approval to treat several other oncologic conditions. Currently, FDA-approved indications include:
• Breast Feeding; Lactation; Milk, Human; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors; Tyrosine Kinase Inhibitors

Synonyms

Imatinib; 152459-95-5; N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide; Glamox; BKJ8M8G5HI; 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide; NSC-743414; NSC-759854; N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide; DTXSID3037125; CHEBI:45783; Benzamide, 4-((4-methyl)-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-; alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide; Imatinibum; 4-((4-Methyl-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide; RefChem:76

Frequently Asked Questions

What are the CAS number and molecular formula of Imatinib?

CAS 152459-95-5; molecular formula C29H31N7O; molecular weight — g/mol.

What other names is Imatinib known by?

Imatinib, 152459-95-5, N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide, Glamox, BKJ8M8G5HI, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide.

Is Imatinib classified as hazardous?

Hazard statements reported: H315, H319, H341, H351, H360.

What are the key physical properties of Imatinib?

Melting Point: 226; Melting Point: 226 °C (mesylate salt); Solubility: 1.46e-02 g/L; LogP: 3.42.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.