Imatinib mesylate

CAS Number: 220127-57-1

Molecular Mass: 589.7 g/mol

Formula: C₃₀H₃₅N₇O₄S

Smiles: CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

Synonymes:

Imatinib mesylate, 220127-57-1, Gleevec, Glivec, Imatinib mesilate, imatinib methanesulfonate, sti-571, Imatinib accord, Imatinib medac, STI 571, Imatinib (as mesilate), NSC-716051, QTI-571, Imatinib methane sulfonate, IMKELDI, QTI571, DTXSID9040502, 8A1O1M485B, DTXCID7020502, CHEBI:31690, CGP-57148, NSC716051, imatinib oral, Mesylate, Imatinib, RefChem:77, alpha-(4-Methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide, Methanesulfonate, Imatinib, Imatinib mesylate 400 mg, CGP57148B, CGP57148, 4-((4-Methyl-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide Monomethanesulfonate, CGP 57148, STI571, Imatinib Mesylate (STI571), Gleevec (Imatinib mesylate), MFCD04307699, Imatinib (mesylate), imatinib monomesylate, Imatinib mesylate [USAN], N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide methanesulfonate, CGP 57148B, Imatinib mesilate (JAN), Imatinib mesylate (USAN), M06311, Imatinib Mesylate(|A form), Imatinib Methansulfonate, IMATINIB MESILATE [JAN], CGP-57148B, Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, methanesulfonate (1:1), CAS-220127-57-1, 220127-57-1 (mesylate), NCGC00159456-02, Genfatinib, Gleevac, Shantinib, Imatinib, methanesulfonate salt, Gleevec, , 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide monomethanesulfonate, C30H35N7O4S, HSDB 7142, Imatinib mesylate?, 4-[(4-Methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide methanesulfonate, 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide methanesulfonate, Gleevec (TN), Glivec (TN), Imatinib mesilate CRS, Imatinib(free base)?, ST-1571 Mesylate, Imatinib Mesylate Tablets, SCHEMBL8217, Imatinib monomethanesulfonate, CHEMBL1642, Benzamide,monomethanesulfonate, Imatinib methanesulfonate salt, MLS001401456, UNII-8A1O1M485B, orb1307991, Imatinib (Mesylate) (Standard), IMATINIB MESYLATE [HSDB], SCHEMBL15632914, SCHEMBL29370699, SCHEMBL29377238, EX-A954, IMATINIB MESYLATE [VANDF], IMATINIB MESILATE [MART.], YLMAHDNUQAMNNX-UHFFFAOYSA-N, GGP-57148B, GLXC-05064, HMS2052B09, HMS2233D16, HMS3265E01, HMS3265E02, HMS3265F01, HMS3265F02, HMS3372O12, HMS3394B09, HMS3654C07, HMS5079E05, IMATINIB MESILATE [WHO-DD], Imatinib for system suitability CRS, Tox21_111684, AC-525, HB1943, HY-50946R, s1026, Imatinib mesylate - Bio-X trade mark, IMATINIB METHANESULFONATE [MI], AKOS015852497, Tox21_111684_1, CCG-101175, FI10812, IMATINIB MESYLATE [ORANGE BOOK], KS-1236, NC00425, NSC 716051, IMATINIB MESILATE [EP MONOGRAPH], NCGC00159456-11, 111GE005, 4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide methanesulfonate, Benzamide, 4-((4-methyl-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-, monomethanesulfonate, BI164678, HY-50946, methanesulfonic acid, 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide methanesulfonate, SMR000469175, SY013513, I0936, NS00076459, SW197805-4, D01441, Imatinib Mesylate (CGP-57148B, STI-571), Q27114666, Imatinib Mesylate,Gleevec,Glivec,CGP-57148B,STI-571, 4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin- 3-yl)-pyrimidin-2-ylamino)-phenyl]-benzamidemethanesulfonic acid salt, 4-(4-Methylpiperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)phenyl]benzamide methanesulfonic acid salt, 4-[(4-Methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl}-benzamide monomethanesulphonate, 4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide methanesulfonate, 4-[(4-Methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide mesylate, 4-[(4-Methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide methanesulfonate, hydron, methanesulfonate, 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, Methanesulfonic acid--4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide (1/1), methanesulfonic acid, 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide, N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamidemethanesulfonate

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.15	-	0.1104	[371]
1-Butanol	283.15	-	0.1489	[371]
1-Butanol	288.15	-	0.1935	[371]
1-Butanol	293.15	-	0.2693	[371]
1-Butanol	298.15	-	0.3712	[371]
1-Butanol	303.15	-	0.4792	[371]
1-Butanol	308.15	-	0.5735	[371]
1-Butanol	313.15	-	0.7016	[371]
1-Butanol	318.15	-	0.8933	[371]
1-Propanol	278.15	-	0.2714	[371]
1-Propanol	283.15	-	0.3649	[371]
1-Propanol	288.15	-	0.4976	[371]
1-Propanol	293.15	-	0.7034	[371]
1-Propanol	298.15	-	0.9244	[371]
1-Propanol	303.15	-	1.215	[371]
1-Propanol	308.15	-	1.549	[371]
1-Propanol	313.15	-	1.894	[371]
1-Propanol	318.15	-	2.337	[371]
Acetonitrile	278.15	-	0.1251	[371]
Acetonitrile	283.15	-	0.1447	[371]
Acetonitrile	288.15	-	0.1867	[371]
Acetonitrile	293.15	-	0.2461	[371]
Acetonitrile	298.15	-	0.3202	[371]
Acetonitrile	303.15	-	0.41	[371]
Acetonitrile	308.15	-	0.5138	[371]
Acetonitrile	313.15	-	0.627	[371]
Acetonitrile	318.15	-	0.8175	[371]
Ethanol	278.15	-	0.8621	[371]
Ethanol	283.15	-	1.336	[371]
Ethanol	288.15	-	1.861	[371]
Ethanol	293.15	-	2.484	[371]
Ethanol	298.15	-	3.22	[371]
Ethanol	303.15	-	4.167	[371]
Ethanol	308.15	-	5.426	[371]
Ethanol	313.15	-	6.708	[371]
Ethanol	318.15	-	8.634	[371]
Isobutanol	278.15	-	0.09452	[371]
Isobutanol	283.15	-	0.1346	[371]
Isobutanol	288.15	-	0.175	[371]
Isobutanol	293.15	-	0.2469	[371]
Isobutanol	298.15	-	0.3314	[371]
Isobutanol	303.15	-	0.4303	[371]
Isobutanol	308.15	-	0.5307	[371]
Isobutanol	313.15	-	0.63	[371]
Isobutanol	318.15	-	0.8465	[371]
Isopropanol	278.15	-	0.07916	[371]
Isopropanol	283.15	-	0.09197	[371]
Isopropanol	288.15	-	0.1186	[371]
Isopropanol	293.15	-	0.1565	[371]
Isopropanol	298.15	-	0.207	[371]
Isopropanol	303.15	-	0.2699	[371]
Isopropanol	308.15	-	0.3246	[371]
Isopropanol	313.15	-	0.4025	[371]
Isopropanol	318.15	-	0.532	[371]
Methanol	278.15	-	13.53	[371]
Methanol	283.15	-	17.02	[371]
Methanol	288.15	-	24.52	[371]
Methanol	293.15	-	33.81	[371]
Methanol	298.15	-	44.71	[371]
Methanol	303.15	-	59.42	[371]
Methanol	308.15	-	76.58	[371]
Methanol	313.15	-	96.34	[371]
Methanol	318.15	-	122.5	[371]
Methyl acetate	278.15	-	0.0121	[371]
Methyl acetate	283.15	-	0.0143	[371]
Methyl acetate	288.15	-	0.0195	[371]
Methyl acetate	293.15	-	0.0253	[371]
Methyl acetate	298.15	-	0.0332	[371]
Methyl acetate	303.15	-	0.0418	[371]
Methyl acetate	308.15	-	0.0539	[371]
Methyl acetate	313.15	-	0.0686	[371]
Methyl acetate	318.15	-	0.0824	[371]
Tetrahydrofuran	278.15	-	0.214	[371]
Tetrahydrofuran	283.15	-	0.3058	[371]
Tetrahydrofuran	288.15	-	0.4033	[371]
Tetrahydrofuran	293.15	-	0.5429	[371]
Tetrahydrofuran	298.15	-	0.6803	[371]
Tetrahydrofuran	303.15	-	0.8244	[371]
Tetrahydrofuran	308.15	-	1.083	[371]
Tetrahydrofuran	313.15	-	1.423	[371]
Tetrahydrofuran	318.15	-	1.68	[371]

Molecule 3D descriptors

Descriptor	Value
PMI1	2906.1492
PMI2	18225.4427
PMI3	20484.3746
NPR1	0.1419
NPR2	0.8897
RadiusOfGyration	5.9401
InertialShapeFactor	0.0003
Eccentricity	0.9899
Asphericity	0.6337
SpherocityIndex	0.0681
PBF	0.7699