PMX-53

• CAT Number: I008792
• CAS Number: 219639-75-5
• Molecular Formula: C47H65N11O7
• Molecular Weight: 896.107
• Purity: ≥95%
• Target: C5aR(CD88) antagonist
• Solubility: Soluble in DMSO
• Storage: -20°C
• IUPAC Name: (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide
• InChI: InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1
• InChIKey: YOKBGCTZYPOSQM-HPSWDUTRSA-N
• SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)N

PMX-53(CAT: I008792) is a compound that acts as a dual antagonist and agonist, targeting the C5a receptor (C5aR or CD88) and the Mas-related gene 2 (MrgX2) receptor. By acting as a C5aR antagonist, PMX-53 can inhibit the hypernociception induced by C5a in rats. Additionally, it has shown inhibitory effects on lung metastasis in a mouse model of breast cancer and has demonstrated the ability to reduce atherosclerotic lesions in a mouse model of atherosclerosis. These properties make PMX-53 a promising candidate for potential therapeutic applications in pain management, cancer treatment, and cardiovascular diseases.

Overview of Clinical Research

PMX-53 is a complement C5a inhibitor. It has not been granted for the orphan drug status.

Reference

1:PMX-53 as a dual CD88 antagonist and an agonist for Mas-related gene 2 (MrgX2) in human mast cells. Subramanian H, Kashem SW, Collington SJ, Qu H, Lambris JD, Ali H.Mol Pharmacol. 2011 Jun;79(6):1005-13. doi: 10.1124/mol.111.071472. Epub 2011 Mar 11. PMID: 21441599 Free PMC Article
2:Drug evaluation: the C5a receptor antagonist PMX-53. Köhl J.Curr Opin Mol Ther. 2006 Dec;8(6):529-38. Review. PMID: 17243489