AG00385A

252917-06-9 | [2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile

AG00385A

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CAS Number	252917-06-9
Catalog Number	AG00385A(AGN-PC-0MWAEX)
Chemical Name	[2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile
IUPAC Name	6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile
InChI	InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)
InChI Key	AQGNHMOJWBZFQQ-UHFFFAOYSA-N
MDL Number	MFCD11846251
Molecular Formula	C22H18Cl2N8
Molecular Weight	465.3379
SMILES	N#CC1=CC=C(NCCNC2=NC=C(C3=NC(C)=CN3)C(C4=CC=C(Cl)C=C4Cl)=N2)N=C1
UNII	234CMT4GK4
Synonyms	Chir 99021, Chir-99021, Chir99021, CT 99021, CT-99021, CT99021, CHIR-99021, 252917-06-9, CHIR99021, CHIR 99021, CT99021, CT 99021, CT-99021, GSK-3 Inhibitor XVI, UNII-234CMT4GK4, CHIR-911, CHIR-99021 (CT99021), 6-[2-[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-ylamino]ethylamino]pyridine-3-carbonitrile, 234CMT4GK4, CHEMBL412142, 6-((2-((4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile, 6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile, AK311166, 6-[[2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile, C22H18Cl2N8, 3-Pyridinecarbonitrile, 6-((2-((4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl)amino)ethyl)amino)-, 3-PYRIDINECARBONITRILE, 6-[[2-[[4-(2,4-DICHLOROPHENYL)-5-(5-METHYL-1H-IMIDAZOL-2-YL)-2-PYRIMIDINYL]AMINO]ETHYL]AMINO]-, 6-((2-((4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile, 6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile, CHIR 911, AQGNHMOJWBZFQQ-UHFFFAOYSA-N, 6-[(2-([4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile, 6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino)ethyl)amino]pyridine-3-carbonitrile, 6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile, 65C, Kinome_3785, cc-59, SCHEMBL151139, BIFK0014, GTPL8014, CHEBI:91091, CTK4F5391, KS-00000XOW, AOB3866, DTXSID90179931, EX-A535, QCR-164, SYN5163, ZX-AFC000324, BCPP000285, BCP01901, 2318AH, ABP000490, BDBM50325983, MFCD11846251, s1263, ZINC29053046, AKOS015904410, AKOS026750421, AM81240, AN-1244, BCP9000520, CS-0181, KIN0002408, RL02837, SB19266, CHIR-99021,CT99021, NCGC00250379-01, NCGC00250379-03, NCGC00250379-09, AC-25532, AS-16523, HY-10182, SC-62210, CHIR99021, >=98% (HPLC), FT-0700271, A25048, S-7733, CHIR99021(CT99021)/CT-99021, J-015915, J-518185, BRD-K16189898-001-02-9, BRD-K16189898-001-04-5, BRD-K16189898-001-09-4, BRD-K16189898-001-10-2, BRD-K16189898-001-11-0, BRD-K16189898-001-15-1, I14-17021, 6-[2-[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidaz, CT99021, 252917-06-9, [2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-3-pyridinecarbonitrile, 3-Pyridinecarbonitrile,6-[[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]amino]-, 6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-ylamino)ethylamino)nicotinonitrile, 6-[(2-{[4-(2,4-dichlorophenyl) -5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile, 6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol -2-yl)-pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile, 6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)-pyrimidin-2-yl]amino}ethyl)amino]pyridine-3-carbonitrile, 6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino }ethyl)amino]pyridine-3-carbonitrile, 6-[(2-{[4-(2,4-dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]amino}ethyl)amino]pyridine-3 -carbonitrile, 6-[(2-{[4-[2,4-Dichlorophenyl)-5-(4-methylimidazol-2-yl)pyrimidin-2-yl]NH}ethyl)NH]pyridine-3-CN, 6-[2-[[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile, 6-[2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-2-imidazolyl)-2-pyrimidinyl]amino]ethylamino]-3-pyridinecarbonitrile, 6-{2-[4-(2,4-dichloro-phenyl)-5-(4-methyl-1h-imidazol-2-yl)-pyrimidin-2-ylamino]-ethylamino}-nicotinonitrile, 6-{2-[4-(2,4-dichloro-phenyl)-5-(5-methyl-1h-imidazol-2-yl)-pyrimidin-2-ylamino]-ethylamino}-nicotinonitrile, CHIR-99021|||6-[2-[[4-(2,4-Dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile, CT99021;6-[2-[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-ylamino]ethylamino]pyridine-3-carbonitrile, D0YK9D, ACN-036844, CHIR-99021 (CT99021) HCl, CID9956119, CID 9956119, CHIR-99021, 98% - 2MG 2mg, A10199, C473711, 6-[2-[4- -5- pyrimidin-2-ylamino]ethylamino]pyridine-3-carbonitrile,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	464.103g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	465.342g/mol
Monoisotopic Mass	464.103g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number