KRpep-2d
KRpep-2d is a K-Ras(G12D) selective inhibitory cyclic peptide with selectivity against wild-type (WT) K-Ras and the K-Ras(G12C) mutant. The IC50 value is 1.6 nM.
| Trivial name | N/A |
| Catalog Number | S8499 |
| Molecular Formula | C108H182N44O25S2 |
| CAS# | 2098181-84-9 |
| Inchi | InChI=1S/C106H179N44O24S2.Ac/c1-7-55(6)79-96(172)144-72(50-151)91(167)141-69(47-56-28-32-58(152)33-29-56)89(165)143-71(49-77(154)155)97(173)149-44-17-27-76(149)94(170)147-78(54(4)5)95(171)145-73(92(16 8)139-66(24-14-42-131-105(121)122)86(162)137-65(23-13-41-130-104(119)120)84(160)135-63(21-11-39-128-102(115)116)82(158)133-61(80(108)156)19-9-37-126-100(111)112)51-175-176-52-74(98(174)150-45-16-26-75 (150)93(169)142-68(46-53(2)3)88(164)140-70(90(166)148-79)48-57-30-34-59(153)35-31-57)146-87(163)67(25-15-43-132-106(123)124)138-85(161)64(22-12-40-129-103(117)118)136-83(159)62(20-10-38-127-101(113)11 4)134-81(157)60(107)18-8-36-125-99(109)110;/h28-35,53-55,60-76,78-79,107,151-153H,7-27,36-52H2,1-6H3,(H2,108,156)(H,133,158)(H,134,157)(H,135,160)(H,136,159)(H,137,162)(H,138,161)(H,139,168)(H,140,164 )(H,141,167)(H,142,169)(H,143,165)(H,144,172)(H,145,171)(H,146,163)(H,147,170)(H,148,166)(H,154,155)(H4,109,110,125)(H4,111,112,126)(H4,113,114,127)(H4,115,116,128)(H4,117,118,129)(H4,119,120,130)(H4, 121,122,131)(H4,123,124,132);/q-1;+1/t55-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,78+,79+;/m1./s1 |
| Inchi Key | CBGCGXOQBOJXQD-UONWHIDMSA-N |
| SMILES | CCC(C)C1NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CC(C)C)NC(=O)C3CCCN3C(=O)C(CSSCC(NC(=O)C(NC(=O)C4CCCN4C(=O)C(CC(O)=O)NC(=O)C(CC5=CC=C(O)C=C5)NC(=O)C(CO)NC1=O)C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)N |
| Size | 2mg |
| Supplier Page | http://www.selleckchem.com/products/kppep-2d.html |
| Additional Information | https://file.selleck.cn/downloads/struct/krpep-2d-chemical-structure-S8499.gif |