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PMX 53 acetate

* Please kindly note that our products are not to be used for therapeutic purposes and cannot be sold to patients.

PMX 53 is a potent and orally active C5aR(CD88) antagonist and Mas-related gene 2 (MrgX2) agonist. It stimulates MrgX2-mediated mast cell degranulation, inhibits C5a-induced neutrophil myeloperoxidase release and chemotaxis, inhibits lung metastasis in a mouse breast cancer model, and reduces atherosclerotic lesions in a mouse model of atherosclerosis.

Category

Peptide Inhibitors

Catalog number

BAT-016286

CAS number

852629-88-0

Molecular Formula

C47H65N11O7.C2H4O2

Molecular Weight

956.14

Specification

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;acetic acid

Synonyms

L-Arginine, N-acetyl-L-phenylalanyl-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-, (6→2)-lactam, monoacetate; Ac-Phe-Orn(1)-Pro-D-Cha-Trp-Arg-(1).CH3CO2H; C 5aRA acetate salt

Related CAS

219639-75-5 (free base) 551935-77-4 (x-acetate salt)

Purity

≥95%

Sequence

Ac-FXPAWR.CH3CO2H (Modifications: X-2 = Orn, Ala-4 = D-Ala, Disulfide bridge between Orn2-Arg6)

Storage

Store at -20°C

Solubility

Soluble in DMSO

InChI

InChI=1S/C47H65N11O7.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t35-,36-,37-,38+,39-,40-;/m0./s1

InChI Key

OTICDIKGFDHIIR-XRANFBFSSA-N

Canonical 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.CC(=O)O