Ketcher 11151715472D 1 1.00000 0.00000 0 36 38 0 0 0 999 V2000 9.9914 -6.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9914 -7.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8573 -5.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8573 -7.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7233 -6.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7233 -7.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8573 -4.8408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9914 -4.3411 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7232 -4.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9944 -4.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4903 -3.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4987 -5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4904 -3.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4989 -5.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9947 -4.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7232 -3.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5890 -2.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8572 -2.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5889 -1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8572 -1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7230 -1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9949 -4.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5005 -5.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1256 -5.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5891 -5.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 -4.8408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4594 -6.3467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3267 -5.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8573 -8.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9900 -9.3341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9841 -10.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1272 -8.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 -9.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1153 -10.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6961 -3.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7295 -3.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 2 0 0 0 4 2 2 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 6 5 2 0 0 0 3 7 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 11 10 1 0 0 0 12 10 2 0 0 0 13 11 2 0 0 0 14 12 1 0 0 0 15 13 1 0 0 0 15 14 2 0 0 0 8 10 1 0 0 0 17 16 1 0 0 0 18 16 2 0 0 0 19 17 2 0 0 0 20 18 1 0 0 0 21 19 1 0 0 0 21 20 2 0 0 0 9 16 1 0 0 0 15 22 1 0 0 0 22 23 1 0 0 0 1 24 1 0 0 0 5 25 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 4 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 31 34 1 0 0 0 35 8 2 0 0 0 36 8 2 0 0 0 M END > CHEBI:138840 > MMP9 inhibitor I > A hydroxamic acid that is N-hydroxy-3-methylbenzamide in which the the hydrogens at positions 2 and 5 have been replaced by benzyl[(4-methoxyphenyl)sulfonyl]amino and (diethylamino)methyl groups, respectively. It is a cell-permeable, potent, selective, and reversible inhibitor of matrix metallopeptidase-9 (MMP-9, EC 3.4.24.35). > 3 > MMP9-I > 2-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-5-[(diethylamino)methyl]-N-hydroxy-3-methylbenzamide > C27H33N3O5S > 511.635 > 511.21409 > 0 > C=1(C=C(C=C(C1N(S(C=2C=CC(=CC2)OC)(=O)=O)CC=3C=CC=CC3)C(=O)NO)CN(CC)CC)C > InChI=1S/C27H33N3O5S/c1-5-29(6-2)18-22-16-20(3)26(25(17-22)27(31)28-32)30(19-21-10-8-7-9-11-21)36(33,34)24-14-12-23(35-4)13-15-24/h7-17,32H,5-6,18-19H2,1-4H3,(H,28,31) > WRNMBFWQBKEBIX-UHFFFAOYSA-N > 1177749-58-4 > 9095110 $$$$