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220127-57-1

Basic Information
CAS No.: 220127-57-1
Name: Imatinib mesylate
Article Data: 54
Cas Database
Molecular Structure:
Molecular Structure of 220127-57-1 (Imatinib mesylate)
Formula: C29H31N7O.CH4O3S
Molecular Weight: 589.71
Synonyms: Benzamide, 4-[ (4-methyl-1-piperazinyl)methyl]-N-[[4- methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, monomethanesulfonate;Matinib mesylate;Imatinib Methanesulfonate;Imatinibmesylate & its intermediates;4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide methanesulfonic acid salt;Veenat;4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3- (4-pyridin-3-yl)-pyrimidin-2-ylamino)-phenyl]-benzamidemethanesulf onic acid salt;methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;
EINECS: 606-892-3
Density: 0.858g/mLat 25°C(lit.)
Melting Point: 214-224°C
Boiling Point: 754.9 °C at 760 mmHg
Flash Point: 410.3 °C
Solubility: N/A
Appearance: Off-white solid
Hazard Symbols: Xn
Risk Codes: 22
Safety:
Transport Information: N/A
PSA: 149.03000
LogP: 5.19690
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Specification

1. Introduction of Imatinib mesylate
Imatinib mesylate is off-white solid. The IUPAC Name of this chemical is Methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide. In addition, its Classification Code is Antineoplastic. Besides, Imatinib mesylate belongs to Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Pharmaceuticals; Tyrosine Kinase Inhibitors. Imatinib mesylate is soluble in aqueous buffers ≤ pH 5.5 but is very slightly soluble to insoluble in neutral/alkaline aqueous buffers.

2. Properties of Imatinib mesylate
Physical properties about Imatinib mesylate are:
(1)H-Bond Donor: 3; (2)H-Bond Acceptor: 10; (3)Flash Point: 410.3 °C; (4)Enthalpy of Vaporization: 115.42 kJ/mol; (5)Boiling Point: 754.9 °C at 760 mmHg; (6)Vapour Pressure of Imatinib mesylate (CAS NO.220127-57-1): 6.03E-24 mmHg at 25 °C.

3. Structure Descriptors of Imatinib mesylate
(1)Canonical SMILES: C1N(C)CCN(C1)Cc1ccc(cc1)C(Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C)=O.OS(C)(=O)=O
(2)InChI: InChI=1/C29H31N7O.CH4O3S/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;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)
(3)InChIKey: InChIKey=YLMAHDNUQAMNNX-UHFFFAOYSA-N 
(4)Smiles: C1N(C)CCN(C1)Cc1ccc(cc1)C(Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C)=O.OS(C)(=O)=O

4. Uses of Imatinib mesylate
Imatinib mesylate (CAS NO.220127-57-1) is used as a tyrosine kinase inhibitor. Highly specific for BCR-ABL, the enzyme associated with chronic myelogenous leukemia (CML) and certain forms of acute lymphoblastic leukemia (ALL). It can inhibits Bcr-Abl protein-tyrosine kinase.

As an inhibitor of PDGFR, imatinib mesylate appears to have utility in the treatment of a variety of dermatological diseases. Imatinib has been reported to be an effective treatment for FIP1L1-PDGFRalpha+ mast cell disease, hypereosinophilic syndrome, and dermatofibrosarcoma protuberans.

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