Imatinib
CAS Number: 152459-95-5
Molecular Mass: 493.6 g/mol
Formula: C29H31N7O
Smiles: Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
Synonymes:
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, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide, BKJ8M8G5HI, 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, DTXCID1017125, L01XE01, Imatinib (STI571), Imatinib free base, C29H31N7O, MFCD05662257, Imatinib (INN), Imatinib Methansulfonate, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CGP 57148B, 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, CHEMBL941, imatinib-CD3, NSC743414, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, IMATINIB [INN], Imatinib [INN:BAN], 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-ylpyrimidin-2-yl)amino]phenyl}benzamide, STI, Glamox (TN), CCRIS 9076, SR-01000763561, NCGC00159456-02, UNII-BKJ8M8G5HI, 152459-95-5 (free base), Imatinib base, 1iep, 1xbb, Gleevec(TM), 4-(4-Methylpiperazin-1-ylmethyl)-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide, CGP 57148, Genfatinib, Imatinib, Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, 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, Imatinib (Gleevec), Imatinib, 21, Imatinib (Standard), Imatinib, Free base, ST1571, ST 1571, Kinome_3724, 112GI019, IMATINIB [MI], IMATINIB [VANDF], IMATINIB [WHO-DD], Gleevec (TN) (Novartis), cid_5291, SCHEMBL3827, IMATINIB [EMA EPAR], STI-571, IMATINIB, BIDD:GT0047, GTPL5687, orb1300957, orb3141244, SCHEMBL29351601, SCHEMBL29355523, BDBM13530, EX-A063, GLXC-05177, HMS2089D03, HMS3244P06, HMS3244P10, HMS3244P14, HMS3656K04, HMS3715P03, HMS5081I09, Imatinib base - Bio-X trade mark, Pharmakon1600-01502276, AC-524, EBC-06061, HY-15463R, MSK159951, NSC759854, NSC800772, STK617705, AKOS000280662, CCG-101289, CS-0964, DB00619, ES-0058, FM10813, NSC 743414, NSC 759854, NSC-800772, PA-5291, SB17306, SDCCGSBI-0634386.P009, MRF-0000449, NCGC00159456-01, NCGC00159456-03, NCGC00159456-04, NCGC00159456-05, NCGC00159456-06, NCGC00159456-07, NCGC00159456-09, NCGC00159456-16, 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-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide, BI164570, HY-15463, N-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide, N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide, SY028029, I0906, NS00009172, S2475, SW197805-5, D08066, EN300-123057, AB00698388-07, AB00698388-10, AB00698388-11, AB00698388-12, AB00698388-13, AB00698388_15, AB00698388_16, F361979, Q177094, SR-01000763561-4, SR-01000763561-6, BRD-K92723993-001-06-7, BRD-K92723993-001-12-5, BRD-K92723993-066-02-9, BRD-K92723993-066-04-5, BRD-K92723993-066-22-7, Z1546624232, 1080014-82-9, 4-(4-Me-piperazin-1-ylmethyl)-N-[4-Me-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide, 4-(4-Methylpiperazin-1-ylmethyl)-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, 4-[(4-methyl-1-piperazinyl)methyl]-n[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide, BENZAMIDE, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-N-(4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINOPHENYL)-, 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]- (9CI), N-[4-Methyl-3-[[4-(3-pyridyl)-2-pyrimidyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 273.15 | - | 2.992 | [481] |
| 1-Propanol | 278.15 | - | 3.373 | [481] |
| 1-Propanol | 283.15 | - | 3.863 | [481] |
| 1-Propanol | 288.15 | - | 4.46 | [481] |
| 1-Propanol | 293.15 | - | 5.119 | [481] |
| 1-Propanol | 298.15 | - | 5.9 | [481] |
| 1-Propanol | 303.15 | - | 6.804 | [481] |
| 1-Propanol | 308.15 | - | 7.7 | [481] |
| 1-Propanol | 313.15 | - | 8.639 | [481] |
| Acetone | 273.15 | - | 2.296 | [481] |
| Acetone | 278.15 | - | 2.547 | [481] |
| Acetone | 283.15 | - | 2.898 | [481] |
| Acetone | 288.15 | - | 3.271 | [481] |
| Acetone | 293.15 | - | 3.76 | [481] |
| Acetone | 298.15 | - | 4.292 | [481] |
| Acetone | 303.15 | - | 4.929 | [481] |
| Acetone | 308.15 | - | 5.572 | [481] |
| Acetone | 313.15 | - | 6.229 | [481] |
| Acetonitrile | 273.15 | - | 0.097 | [481] |
| Acetonitrile | 278.15 | - | 0.1371 | [481] |
| Acetonitrile | 283.15 | - | 0.1879 | [481] |
| Acetonitrile | 288.15 | - | 0.2568 | [481] |
| Acetonitrile | 293.15 | - | 0.3376 | [481] |
| Acetonitrile | 298.15 | - | 0.4506 | [481] |
| Acetonitrile | 303.15 | - | 0.5816 | [481] |
| Acetonitrile | 308.15 | - | 0.7313 | [481] |
| Acetonitrile | 313.15 | - | 0.8906 | [481] |
| Ethyl acetate | 273.15 | - | 0.446 | [481] |
| Ethyl acetate | 278.15 | - | 0.5918 | [481] |
| Ethyl acetate | 283.15 | - | 0.7263 | [481] |
| Ethyl acetate | 288.15 | - | 0.8787 | [481] |
| Ethyl acetate | 293.15 | - | 1.029 | [481] |
| Ethyl acetate | 298.15 | - | 1.198 | [481] |
| Ethyl acetate | 303.15 | - | 1.409 | [481] |
| Ethyl acetate | 308.15 | - | 1.646 | [481] |
| Ethyl acetate | 313.15 | - | 1.91 | [481] |
| Toluene | 273.15 | - | 3.903 | [481] |
| Toluene | 278.15 | - | 4.44 | [481] |
| Toluene | 283.15 | - | 5.103 | [481] |
| Toluene | 288.15 | - | 5.796 | [481] |
| Toluene | 293.15 | - | 6.585 | [481] |
| Toluene | 298.15 | - | 7.416 | [481] |
| Toluene | 303.15 | - | 8.289 | [481] |
| Toluene | 308.15 | - | 9.124 | [481] |
| Toluene | 313.15 | - | 10.04 | [481] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 3750.3074 |
| PMI2 | 16428.9143 |
| PMI3 | 19714.8759 |
| NPR1 | 0.1902 |
| NPR2 | 0.8333 |
| RadiusOfGyration | 6.3569 |
| InertialShapeFactor | 0.0002 |
| Eccentricity | 0.9817 |
| Asphericity | 0.5358 |
| SpherocityIndex | 0.0606 |
| PBF | 0.7327 |