Balixafortide TFA

• CAT Number: I045976
• Molecular Formula: C86H119F3N24O23S2
• Molecular Weight: 1978.16
• Purity: ≥95%
• IUPAC Name: 3-[(1R,4S,7S,10S,16S,22R,25S,28S,31S,34S,37S,40S,43S,46R,52S,55S)-25-(4-aminobutyl)-43-(2-aminoethyl)-40-(3-carbamimidamidopropyl)-55-(hydroxymethyl)-10,31,37-tris[(4-hydroxyphenyl)methyl]-7-(1H-imidazol-5-ylmethyl)-4,52-dimethyl-3,8,11,17,23,26,29,32,35,38,39,42,45,51,54,57-hexadecaoxo-59,60-dithia-2,5,6,9,12,18,24,27,30,33,36,41,44,50,53,56-hexadecazapentacyclo[32.23.4.012,16.018,22.046,50]henhexacontan-28-yl]propanamide;2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C84H118N24O21S2.C2HF3O2/c1-44-70(116)102-62-41-130-131-42-63(77(123)98-57(35-46-14-20-50(110)21-15-46)69(115)68(114)53(10-5-31-91-84(88)89)94-73(119)56(28-30-86)97-79(125)64-11-6-32-106(64)81(127)45(2)93-76(122)61(40-109)101-78(62)124)103-74(120)58(36-47-16-22-51(111)23-17-47)99-72(118)55(26-27-67(87)113)95-71(117)54(9-3-4-29-85)96-80(126)65-12-7-33-107(65)83(129)66-13-8-34-108(66)82(128)60(37-48-18-24-52(112)25-19-48)100-75(121)59(105-104-44)38-49-39-90-43-92-49;3-2(4,5)1(6)7/h14-25,39,43-45,53-66,104-105,109-112H,3-13,26-38,40-42,85-86H2,1-2H3,(H2,87,113)(H,90,92)(H,93,122)(H,94,119)(H,95,117)(H,96,126)(H,97,125)(H,98,123)(H,99,118)(H,100,121)(H,101,124)(H,102,116)(H,103,120)(H4,88,89,91);(H,6,7)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66-;/m0./s1
• InChIKey: XYJUFMKSNBUNQS-LFRYDZDGSA-N
• SMILES: C[C@H]1C(=O)N[C@H]2CSSC[C@H](C(=O)N[C@H](C(=O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCN)CCCNC(=N)N)CC4=CC=C(C=C4)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@@H](NN1)CC7=CN=CN7)CC8=CC=C(C=C8)O)CCCCN)CCC(=O)N)CC9=CC=C(C=C9)O.C(=O)(C(F)(F)F)O

Balixafortide TFA(CAT: I045976) is a potent and selective antagonist of the chemokine receptor CXCR4, supplied as its trifluoroacetate (TFA) salt for stability and solubility. By blocking CXCR4–CXCL12 interactions, Balixafortide disrupts tumor cell migration, adhesion, and metastasis, making it a promising candidate in oncology research. It has also been investigated clinically in combination with chemotherapeutics, such as eribulin, for the treatment of metastatic breast cancer. Beyond oncology, Balixafortide is relevant in studies of hematopoietic stem cell mobilization, immune modulation, and inflammatory signaling. This compound provides a valuable tool for exploring CXCR4-targeted therapies in cancer, immunology, and regenerative medicine research.