Cemadotin, an omnipotent cytotoxic entity, is extensively employed in the mesmerizing biomedical realm to efficaciously combat an array of obstinate solid tumors encompassing pulmonary, mammary, as well as ovarian malignancies. Its extraordinary prowess lies within its exquisite ability to unequivocally pinpoint and curtail the polymerization of tubulin, thus imposing a profound halt upon the cell cycle, ultimately inducing apoptosis.
CAT No: R2050
CAS No: 159776-69-9
Synonyms/Alias: Cemadotin;159776-69-9;Cemadotin [INN];cemadotina;cemadotine;UNII-6SQ8M7ZSFV;6SQ8M7ZSFV;LU 103793;NSC D-669356;NSC-D-669356;CEMADOTIN [WHO-DD];LU-103793;LU103793;N,N-dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-L-prolinebenzylamide;L-Prolinamide, N,N-dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-N-(phenylmethyl)-;NSCD-669356;cemadotinum;cemadotin free base;SCHEMBL18768;CHEMBL2104387;DTXCID6089214;NSC 669356D;NSC D669356;NSC-669356D;NSC-D669356;DA-72074;HY-13589;TS-09580;CS-0007296;Q27265457;N,N-Dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-N-benzyl-L-prolinamide;
Chemical Name: (2S)-N-benzyl-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
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M.F/Formula | C35H56N6O5 |
M.W/Mr. | 640.9 |
Sequence | One Letter Code:VVVPP Three Letter Code:N(Me2)Val-Val-N(Me)Val-Pro-Pro-NHBn |
InChI | InChI=1S/C35H56N6O5/c1-22(2)28(37-32(43)29(23(3)4)38(7)8)34(45)39(9)30(24(5)6)35(46)41-20-14-18-27(41)33(44)40-19-13-17-26(40)31(42)36-21-25-15-11-10-12-16-25/h10-12,15-16,22-24,26-30H,13-14,17-21H2,1-9H3,(H,36,42)(H,37,43)/t26-,27-,28-,29-,30-/m0/s1 |
InChI Key | XSAKVDNHFRWJKS-IIZANFQQSA-N |
Canonical SMILES | CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C |
Isomeric SMILES | CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N(C)C |
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