甲磺酸伊马替尼

Description

Imatinib Mesylate · CAS 220127-57-1 · C30H35N7O4S. UNII 8A1O1M485B. Solubility: In water, >100 g/l @ pH 4.2; 49 mg/l @ pH 7.4.

Identification

CAS Registry Number	220127-57-1
PubChem CID	123596
Molecular formula	C30H35N7O4S
IUPAC name	methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
UNII (FDA)	8A1O1M485B

Computed Descriptors

Molecular Weight	589.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	589.24712380
Monoisotopic Mass	589.24712380
Topological Polar Surface Area	149
Heavy Atom Count	42
Formal Charge	0
Complexity	799

Physical & Chemical Properties

Solubility	In water, >100 g/l @ pH 4.2; 49 mg/l @ pH 7.4

Physical description & handling notes

• White to off white to brownish or yellowish tinged crystalline powder
• MP: 226 °C (alpha form); 217 °C (beta form)
• Soluble in aqueous buffers =<pH 5.5, but very slightly soluble in neutral to alkaline aqueous buffers; freely soluble to very soluble in dimethyl sulfoxide, methanol, and ethanol; insoluble in n-octanol, acetone, and acetonitrile.
• Lipophilic at pH 7.4
• Molecular weight: 493.60; melting point: 211-213 °C; pKa1: 8.07; pKa2: 3.73; pKa3: 2.56; pKa 4: 1.52 /Imatinib/

Regulatory Status

GHS notification summary	0.9% (1 / 117)

GHS Hazard Classification

GHS notification summary	0.9% (1 / 117)
Reported hazard statements	H302 (82.9%), H351 (17.9%), H360 (13.7%)

Documented Uses

• ... distributed by Novartis Pharmaceuticals Corp., East Hanover, NJ 07936
• Breast Feeding; Lactation; Milk, Human; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors; Tyrosine Kinase Inhibitors
• Imatinib mesylate is approved to treat:
• • Acute lymphoblastic leukemia in adults and children that is Philadelphia chromosomepositive. In adults, it is used for cancer that has come back or does not respond to treatment. In children, it is used with chemotherapy as the first treatment after the cancer is diagnosed.
• • Chronic eosinophilic leukemia or hypereosinophilic syndrome in adults.
• • Chronic myelogenous leukemia that is Philadelphia chromosome positive. It is used in adults and children with:

Synonyms

Imatinib mesylate; 220127-57-1; Gleevec; Glivec; Imatinib mesilate; imatinib methanesulfonate; sti-571; Imatinib accord; Imatinib medac; STI 571; Imatinib (as mesilate); NSC-716051; DTXSID9040502; QTI-571; Imatinib methane sulfonate; IMKELDI

Frequently Asked Questions

What are the CAS number and molecular formula of Imatinib Mesylate?

CAS 220127-57-1; molecular formula C30H35N7O4S; molecular weight — g/mol.

What other names is Imatinib Mesylate known by?

Imatinib mesylate, 220127-57-1, Gleevec, Glivec, Imatinib mesilate, imatinib methanesulfonate.

Is Imatinib Mesylate classified as hazardous?

0.9% of GHS notifications report no hazard classification (1 of 117).

What are the key physical properties of Imatinib Mesylate?

Solubility: In water, >100 g/l @ pH 4.2; 49 mg/l @ pH 7.4.

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.