AG00350H

152459-95-5 | 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

AG00350H

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CAS Number	152459-95-5
Catalog Number	AG00350H(AGN-PC-00PUK9)
Chemical Name	4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
IUPAC Name	4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
InChI	InChI=1S/C29H31N7O/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/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
InChI Key	KTUFNOKKBVMGRW-UHFFFAOYSA-N
MDL Number	MFCD05662257
Molecular Formula	C29H31N7O
Molecular Weight	493.6027
SMILES	CN1CCN(CC1)CC1=CC=C(C(=O)NC2=CC(=C(C=C2)C)NC2=NC=CC(=N2)C=2C=NC=CC2)C=C1
UNII	BKJ8M8G5HI
Synonyms	alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide, CGP 57148, CGP-57148, CGP57148, CGP57148B, Gleevec, Glivec, imatinib, imatinib mesylate, imatinib methanesulfonate, Mesylate, Imatinib, Methanesulfonate, Imatinib, ST 1571, ST1571, STI 571, STI-571, STI571, Imatinib, 152459-95-5, STI571, Imatinib (STI571), sti-571, Cgp 57148, Imatinib [INN:BAN], Imatinib free base, STI 571, N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide, Imatinib Methansulfonate, UNII-BKJ8M8G5HI, CCRIS 9076, Imatinib(STI571), CGP 57148B, CGP-57148, BKJ8M8G5HI, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHEMBL941, 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, CHEBI:45783, KTUFNOKKBVMGRW-UHFFFAOYSA-N, NSC743414, alpha-(4-Methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide, 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-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide, AK107630, 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)amino)phenyl)-, STI, Q-201231, Imatinib (INN), 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]amino]phenyl]-, N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide, Glamox (TN), Imatinib base(IMA-3), SR-01000763561, NCGC00159456-02, ST1571, ST 1571, Imatinibum, C29H31N7O, imatinib-CD3, 1iep, 1xbb, Gleevec(TM), 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 - Gleevec, Imatinib, 21, Kinome_3724, 112GI019, ACMC-20a8ej, Gleevec (TN) (Novartis), STI-571;IMATINIB, AC1L1K0Z, cid_5291, SCHEMBL3827, KSC919A1B, BIDD:GT0047, GTPL5687, DTXSID3037125, BDBM13530, CTK8B9010, EX-A063, QCR-269, BCPP000205, CGP057148B, HMS2089D03, HMS3244P06, HMS3244P10, HMS3244P14, HMS3656K04, HMS3715P03, Pharmakon1600-01502276, AMX10172, BCP01542, KS-00000GF2, AC-524, ANW-61817, MFCD05662257, NSC759854, STK617705, ZINC19632618, AKOS000280662, AN-1330, API0024674, BCP9000775, CCG-101289, CS-0964, DB00619, ES-0058, MCULE-2384256888, NSC-743414, NSC-759854, RL01949, RP17985, RTC-070813, SB17306, ST-1571, MRF-0000449, 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-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, AJ-74092, BC215796, EN002706, HY-15463, N-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide, AB0044023, AB1009645, AX8134347, LS-182208, LS-187106, ST2413554, AM20090646, FT-0083542, FT-0651483, I0906, S2475, SW197805-5, D08066, W-3956, 12810-EP2269994A1, 12810-EP2270008A1, 12810-EP2272827A1, 12810-EP2275412A1, 12810-EP2275413A1, 12810-EP2277865A1, 12810-EP2287156A1, 12810-EP2289892A1, 12810-EP2291366A2, 12810-EP2292234A1, 12810-EP2292617A1, 12810-EP2305667A2, 12810-EP2308855A1, 12810-EP2311807A1, 12810-EP2311821A1, 12810-EP2311840A1, 12810-EP2316831A1, 12810-EP2316832A1, 12810-EP2316833A1, AB00698388-07, AB00698388-10, AB00698388-11, AB00698388-12, AB00698388-13, AB00698388_15, AB00698388_16, 459I955, I01-1232, SR-01000763561-4, SR-01000763561-6, BRD-K92723993-066-02-9, BRD-K92723993-066-04-5, Z1551429727, Pyrimidine,4-(bromomethyl)-2-chloro-; 4-(Bromomethyl)pyrimidine, alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide, 4-(4-Me-piperazin-1-ylmethyl)-N-[4-Me-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-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, 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide, Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- (9CI), Gleevec, Glivec, Imatinib mesylate, Imatinib mesilate, Glamox, Mesylate, Imatinib, Gleevec (TN), Glivec (TN), imatinib methanesulfonate, Methanesulfonate, Imatinib, D01UCI, D0AZ3C, CGP57148B, Imatinib Mesylate (STI571), Imatinib, 98% - 1G 1g, Tyrosine Kinase Inhibitor - Ns, CGP57148, 2,2'-Diallyl-4,4'-biphenol, CID5291, CGP-57-148B, 152459-95-5 (free base), C29-H31-N7-O, ACN-034467, CS-O-01674, Imatinib Meta-methyl-piperazine Impurity, 2158B, A1805, B2171, 220127-57-1, A10259, C097613, D000068877, MCL-1-specific antisense oligonucleotide + Imatinib (STI571), Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-(9CI), N-[5-[4-(4-methylpiperazinomethyl)benzoylamido]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine,

Complexity	706
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	493.259g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	493.615g/mol
Monoisotopic Mass	493.259g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	86.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number