Dasatinib

Catalog Number	ACM302962498
CAS	302962-49-8
Structure
IUPAC Name	N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
Synonyms	Dasatinib;302962-49-8;Sprycel;BMS-354825;BMS 354825;BMS354825;Dasatinib anhydrous;Dasatinib (anhydrous);Dasatinib (BMS-354825);N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide;N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE;N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide;anh. dasatinib;UNII-X78UG0A0RN;anhydrous dasatinib;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;dasatinib (anh.);CHEMBL1421;X78UG0A0RN;CHEBI:49375;NSC732517;NSC-732517;5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-;NCGC00181129-01;DSSTox_CID_20979;DSSTox_RID_79608;DSSTox_GSID_40979;dasatinibum;2-{6-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-methyl-pyrimidin-4-ylamino}-thiazole-5-carboxylic acid (2-chloro-6-methyl-phenyl)-amide;5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-;SMR002529551;CAS-302962-49-8;302962-49-8 pound not863127-77-9;Dasatinib [USAN:INN];BMS-354825-03;BMS Dasatinib;1N1;Kinome_3650;Dasatinib (JAN/INN);Sprycel (Bristol Meyers);SCHEMBL8226;Dasatinib BMS-354825;Dasatinib,BMS-354825;cc-352;MLS003915609;MLS004774145;MLS006010904;BMS 354825\|\|\|Sprycel;Dasatinib - BMS-354825;GTPL5678;DTXSID4040979;BDBM13216;BMS-354825 HYDRATE;cid_3062316;EX-A401;QCR-106;SYN1036;5-Thiazolecarboxamide, monohydrate;BCPP000263;HMS2043N05;HMS3244A05;HMS3244A06;HMS3244B05;HMS3265C19;HMS3265C20;HMS3265D19;HMS3265D20;HMS3654K05;HMS3744C11;Pharmakon1600-01502275;AOB87355;BCP01797;ZINC3986735;Tox21_112736;2359AH;ANW-43935;CD0138;MFCD11046566;NSC759877;NSC800087;s1021;AKOS015902363;Tox21_112736_1;BCP9000589;BMS 345825;CCG-264779;CS-0100;DB01254;GS-6548;NSC-759877;NSC-800087;SB17284;NCGC00181129-02;NCGC00181129-03;NCGC00181129-05;NCGC00181129-06;NCGC00181129-07;NCGC00181129-12;NCGC00181129-14;NCGC00481571-01;2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide;AC-22749;AK-47532;BCB03_000715;BMS 35482513;HY-10181;N-(2-chloro-6-methyl-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]thiazole-5-carboxamide;AB0066750;AM20080877;FT-0650671;SW208076-5;EC-000.2122;A-2429;D-3307;D03658;49310-EP2270008A1;49310-EP2292617A1;49310-EP2311840A1;AB01273956-01;AB01273956-02;AB01273956_03;AR-270/43507994;Q419940;SR-00000000554;Q-101345;SR-00000000554-5;BRD-K49328571-001-05-1;BRD-K49328571-001-07-7;BMS-354825;BMS354825;BMS 354825;Z2786158251;N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide;N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide;n-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide
Molecular Weight	488.0g/mol
Molecular Formula	C22H26ClN7O2S
Canonical SMILES	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
InChI	InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
InChI Key	ZBNZXTGUTAYRHI-UHFFFAOYSA-N
Melting Point	280-286 °C;280-286°C
Solubility	1.28e-02 g/L
Complexity	642
Covalently-Bonded Unit Count	1
EC Number	801-607-0
Exact Mass	487.1557220g/mol
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	9
Log P	1.8
Monoisotopic Mass	487.1557220g/mol
NSC Number	759877;732517
Rotatable Bond Count	7
Topological Polar Surface Area	135Å²
UNII	X78UG0A0RN
X Log P3	3.6

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