Lapatinib

Catalog Number	ACM231277922
CAS	231277-92-2
Structure
IUPAC Name	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
Synonyms	Lapatinib;231277-92-2;Tykerb;GW572016;Lapatinib base;GW 572016;Tyverb;Lapatinib tosilate hydrate;388082-78-8;Lapatinib free base;UNII-0VUA21238F;Lapatinib (free base);231277-92-2 (free base);MFCD09264194;FMM;N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine;N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE;CHEMBL554;GW-572016;CHEBI:49603;0VUA21238F;NSC745750;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine;NCGC00167507-01;C29H26ClFN4O4S;DSSTox_CID_26675;DSSTox_RID_81812;DSSTox_GSID_46675;N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine;n-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine;Lapatinib (INN);4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-;4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-;N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine;N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine;N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine;N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine;N3-Chloro-4-(3-fluorophenyl)methoxyphenyl-6-5-(2-methylsulfonylethylamino)methyl-2-furylquinazolin-4-amine;GSK 572016;CAS-231277-92-2;1210608-87-9;GW-2016;Lapatinib [INN:BAN];GSK572016;GW 282974X;HSDB 8209;1xkk;N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine;N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine;Lapatinib Ditosylate/;Lapatinib 13C-D7;PubChem7650;nchembio866-comp20;Kinome_3684;Kinome_3685;SCHEMBL8100;BDBM5445;cid_208908;GTPL5692;QCR-63;DTXSID7046675;AOB5254;EX-A402;SYN1052;BCPP000188;BCPP000189;HMS2089H10;HMS3244N06;HMS3244N10;HMS3244N14;HMS3744K11;Tykerb (TN) (Glaxo Smith Kline);BCP01874;ZINC1550477;Tox21_112505;ABP000866;ABP000872;NSC800780;AKOS005145766;Tox21_112505_1;AC-1314;BCP9000837;BCP9000838;CCG-270133;CM14421;DB01259;GSK-572016;GW-572016X;NSC-745750;NSC-800780;SB16918;NCGC00167507-02;NCGC00167507-03;NCGC00167507-04;NCGC00167507-09;4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline;913989-15-8;AK-46487;AS-14065;HY-50898;N-(3-Chloro-4-{[(3-fluorophenyl)methyl]oxy}phenyl)-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furanyl]-4-quinazolinamine;Q570;AB0005824;A3967;AM20090641;FT-0659650;SW199101-5;A25184;D08108;J90020;W-3749;49311-EP2298768A1;49311-EP2298778A1;49311-EP2311840A1;AB01273965-01;AB01273965-02;AB01273965-03;AB01273965_04;AB01273965_05;277L922;Q420323;Q-101353;SR-05000001472-1;BRD-K19687926-001-01-7;BRD-K19687926-379-02-5;GW572016;GW-572016;GW 572016;1092929-10-6;N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl] quinazolin-4-amine;N-{3-chloro-4-[(3-fluoro-benzyl)oxy]phenyl}-6-[5-({2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine;N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methane sulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine;N-{3-Chloro-4[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methane sulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine
Molecular Weight	581.1g/mol
Molecular Formula	C29H26ClFN4O4S
Canonical SMILES	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
InChI	InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
InChI Key	BCFGMOOMADDAQU-UHFFFAOYSA-N
Solubility	In water, 6.67X10-2 mg/L at 25 °C (est);2.23e-02 g/L
Shelf Life	Stable if stored as directed; avoid strong oxidizing agents.
Complexity	898
Covalently-Bonded Unit Count	1
Decomposition	Thermal decomposition may produce toxic gases such as carbon monoxide, carbon dioxide, and nitrogen oxides.
Dissociation Constants	pKa1 = 3.80 (amine); pKa2 = 7.20 (amine)
Exact Mass	580.1347324g/mol
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	9
Log P	log Kow = 5.29 (est);5.4
Monoisotopic Mass	580.1347324g/mol
NSC Number	745750
Rotatable Bond Count	11
Topological Polar Surface Area	115Å²
UNII	0VUA21238F
Vapor Pressure	1.63X10-17 mm Hg at 25 °C (est)
X Log P3	5.1

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