For research use only. Not for therapeutic Use.
Pentixafor(CAT: I034418) is a synthetic small molecule that acts as a highly selective antagonist for the chemokine receptor CXCR4. CXCR4 is involved in various cellular processes such as immune cell trafficking, hematopoiesis, and tumor metastasis. Pentixafor binds to CXCR4, blocking its activation and subsequent signaling, which can inhibit cancer cell migration, tumor growth, and metastasis. Additionally, it has applications in stem cell mobilization, where it can modulate the movement of stem cells from the bone marrow into the bloodstream. Pentixafor is highly relevant for Cancer Disease Research, particularly in studies exploring cancer metastasis and stem cell therapies, as well as potential treatments for autoimmune disorders.
| CAS Number | 1341207-62-2 |
| Synonyms | 2-[4,7-bis(carboxymethyl)-10-[2-[[4-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| Molecular Formula | C60H80N14O14 |
| Purity | ≥95% |
| IUPAC Name | 2-[4,7-bis(carboxymethyl)-10-[2-[[4-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| InChI | InChI=1S/C60H80N14O14/c1-70-49(9-5-20-63-55(84)43-16-10-40(11-17-43)33-65-51(77)35-71-22-24-72(36-52(78)79)26-28-74(38-54(82)83)29-27-73(25-23-71)37-53(80)81)58(87)68-46(8-4-21-64-60(61)62)57(86)69-47(32-41-12-15-42-6-2-3-7-44(42)30-41)56(85)66-34-50(76)67-48(59(70)88)31-39-13-18-45(75)19-14-39/h2-3,6-7,10-19,30,46-49,75H,4-5,8-9,20-29,31-38H2,1H3,(H,63,84)(H,65,77)(H,66,85)(H,67,76)(H,68,87)(H,69,86)(H,78,79)(H,80,81)(H,82,83)(H4,61,62,64)/t46-,47-,48+,49+/m0/s1 |
| InChIKey | OSUJVKAXNLHVRB-HUMWUIFSSA-N |
| SMILES | CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)C5=CC=C(C=C5)CNC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O |
