Marvin 12211115152D 36 40 0 0 0 0 999 V2000 15.1450 -24.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1450 -22.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9932 -24.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8414 -24.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9932 -26.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6896 -24.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8414 -26.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6896 -26.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2968 -24.8416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5378 -26.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5378 -28.1666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5378 -30.8266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6896 -30.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3860 -28.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3860 -30.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6896 -28.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5378 -32.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6004 -22.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7523 -22.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7523 -24.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6004 -24.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4486 -24.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4486 -22.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9041 -22.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6004 -20.8516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3096 -18.8639 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.4486 -20.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2336 -20.7275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3437 -19.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0087 -18.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1573 -21.2322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3755 -20.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4800 -21.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0209 -19.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9165 -18.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2392 -18.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 9 1 1 0 0 0 0 4 3 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 8 7 1 0 0 0 0 10 8 1 0 0 0 0 22 9 1 0 0 0 0 11 10 1 0 0 0 0 14 11 1 0 0 0 0 16 11 1 0 0 0 0 13 12 1 0 0 0 0 15 12 1 0 0 0 0 17 12 1 0 0 0 0 16 13 1 0 0 0 0 15 14 1 0 0 0 0 23 18 2 0 0 0 0 19 18 1 0 0 0 0 25 18 1 0 0 0 0 20 19 2 0 0 0 0 24 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 23 22 1 0 0 0 0 27 25 1 0 0 0 0 27 26 1 0 0 0 0 30 26 1 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 34 29 1 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 35 32 1 0 0 0 0 34 33 2 0 0 0 0 36 34 1 0 0 0 0 36 35 2 0 0 0 0 M END > CHEBI:63450 > masitinib > A member of the class of benzamides that is the carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary amino group of 4-methyl-N3-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine. It is a highly selective oral tyrosine kinase inhibitor. > 3 > AB1010; AB-1010; AB 1010 > 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)benzamide > masitinib > C28H30N6OS > 498.64200 > 498.22018 > 0 > CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nc(cs2)-c2cccnc2)c1 > InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32) > WJEOLQLKVOPQFV-UHFFFAOYSA-N > 790299-79-5 > 12083382 > 790299-79-5 > LSM-1130 > 19549290; 19789626; 20033487; 20211560; 21034327; 21333567; 21504563; 21668810 $$$$