Selective, high affinity α4β1 (Very Late Antigen 4; VLA-4) inhibitor; Displays 200-fold selectivity for the activated form of α4β1 (KD = 70 pM; IC50 = 0.004 μM).
CAT No: R1096
CAS No: 187735-94-0
Synonyms/Alias: BIO-1211;187735-94-0;BIO 1211;UNII-61G4E2353I;BIO1211;L-Proline, N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-;61G4E2353I;CHEMBL88478;(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid;L-Proline, N-(2-(4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-;(2-(4-(3-(o-tolyl)ureido)phenyl)acetyl)-L-leucyl-L-aspartyl-L-valyl-L-proline;N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-leucyl-aspartyl-valyl-proline;L-PROLINE, N-((4-((((2-METHYLPHENYL)AMINO)CARBONYL)AMINO)PHENYL)ACETYL)-L-LEUCYL-L-.ALPHA.-ASPARTYL-L-VALYL-;MFCD02259692;MPUPA-LDVP;;GTPL6589;SCHEMBL1223367;GLXC-01821;BDBM50074661;AKOS024457866;DA-71489;FM111090;HY-14126;MS-31193;CS-0003215;G13126;BRD-K03399463-001-01-6;Q27075284;(S)-1-{(S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid;(S)-1-{(S)-2-[3-Carboxy-2-((1S,5S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid;192390-59-3;L-PROLINE, N-(2-(4-((((2-METHYLPHENYL)AMINO)CARBONYL)AMINO)PHENYL)ACETYL)-L-LEUCYL-L-.ALPHA.-ASPARTYL-L-VALYL-;
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M.F/Formula | C36H48N6O9 |
M.W/Mr. | 708.8 |
Sequence | One Letter Code:LDVP |
Labeling Target | Integrin |
Appearance | White lyophilised solid |
Purity | >98% |
Activity | Inhibitor |
InChI | InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1 |
InChI Key | NVVGCQABIHSJSQ-KFZSMJGVSA-N |
Isomeric SMILES | CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)O |
BoilingPoint | N/A |
Melting Point | N/A |
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