BKT 140

BKT 140 is an antagonist of chemokine (C-X-C motif) receptor 4 (CXCR4, IC50 = 0.91 nM). It inhibits HIV-1-induced cytopathogenicity in MT-4 cells with an EC50 value of 4 nM. BKT 140 (100 nM) reduces migration of SUP-T1 leukemia and MDA-MB-231 breast cancer cells induced by chemokine (C-X-C) ligand 12 (CXCL12). It induces apoptosis in NB4 leukemia and RPMI-8226 multiple myeloma cancer cells when used at concentrations 8 and 40 µM. BKT 140 reduces pulmonary metastasis in an MDA-MB-231 mouse xenograft model. It also reduces the incidence of arthritis in a mouse model of collagen-induced arthritis.Formal Name: N2-(4-fluorobenzoyl)-L-arginyl-L-arginyl-3-(2-naphthalenyl)-L-alanyl-L-cysteinyl-L-tyrosyl-N5-(aminocarbonyl)-L-ornithyl-L-lysyl-D-lysyl-L-prolyl-L-tyrosyl-L-arginyl-N5-(aminocarbonyl)-L-ornithyl-L-cysteinyl-L-argininamide, cyclic (4->13)-disulfide. CAS Number: 664334-36-5. Synonyms: 4F-benzoyl-TN14003, BL-8040, Motixafortide, TF 14016. Molecular Formula: C97H144FN33O19S2. Formula Weight: 2159.5. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: 200 mg/ml. lambdamax: 227 nm. SMILES: NCCCC[C@@H]1NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(C2=CC=C(C=C2)F)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CC3=CC4=C(C=CC=C4)C=C3)=O)CSSC[C@@H](C(N[C@H](C(N)=O)CCCNC(N)=N)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@]5([H])CCCN5C([C@H](NC1=O)CCCCN)=O)=O)CC6=CC=C(C=C6)O)=O)CCCNC(N)=N)=O)CCCNC(N)=O)=O)=O)CC7=CC=C(C=C7)O)=O)CCCNC(N)=O)=O. InChi Code: InChI=1S/C97H144FN33O19S2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150)/t63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-/m0/s1. InChi Key: JJVZSYKFCOBILL-KZGZZEQFSA-N.