Ketcher 03242111562D 1 1.00000 0.00000 0 35 38 0 0 0 999 V2000 24.7620 -12.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8960 -11.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8960 -10.8912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0300 -10.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1640 -10.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1640 -11.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0300 -12.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2980 -10.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4320 -10.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5660 -10.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7000 -10.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7000 -11.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5660 -12.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4320 -11.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8339 -12.3912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8339 -13.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7000 -13.8912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7000 -14.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8339 -15.3912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9679 -14.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9679 -13.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1019 -13.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2358 -13.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2358 -14.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1019 -15.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3698 -13.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5038 -13.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6378 -13.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7718 -13.8912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9057 -13.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9057 -12.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0397 -13.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1737 -13.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3077 -13.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5660 -9.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 2 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 9 1 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 16 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 20 1 0 0 0 23 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 10 35 1 0 0 0 M END > CHEBI:167658 > CP-724714 > A 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide in which the double bond adopts a trans-configuration. It is a potent inhibitor of HER2/ErbB2 (IC50 = 10 nM) and exhibits anti-cancer activity. > 3 > CP724714; CP-724,714; CP 724714; 2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-enyl]acetamide; 2-methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]-acetamide; (E)-2-methoxy-N-[3-[4-[[3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl]amino]quinazolin-6-yl]allyl]ethanamide > 2-methoxy-N-[(2E)-3-(4-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]anilino}quinazolin-6-yl)prop-2-en-1-yl]acetamide > C27H27N5O3 > 469.545 > 469.21139 > 0 > COCC(=O)NC\C=C\C1=CC2=C(C=C1)N=CN=C2NC1=CC(C)=C(OC2=CN=C(C)C=C2)C=C1 > InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+ > LLVZBTWPGQVVLW-SNAWJCMRSA-N > 845680-17-3 > 845680-17-3 > DB12302 > LSM-42777 > 17285315; 17317835; 17805538; 17942920; 18500794; 19223659; 25426072; 26846307; 28014873; 28902361; 29662626; 30858165; 31613219; 33463944 $$$$