SML0850

PS372424 hydrochloride

≥97% (HPLC)

• Synonym(s): (3S)-N-[(1S)-4-[(Aminoiminomethyl)amino]-1-[[(cyclohexylmethyl)amino]carbonyl]butyl]-2-(1,4-dioxo-4-phenylbutyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide hydrochloride, (S)-N-((S)-1-((Cyclohexylmethyl)amino)-5-guanidino-1-oxopentan-2-yl)-2-(4-oxo-4-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
• Empirical Formula (Hill Notation): C₃₃H₄₄N₆O₄ · HCl
• CAS Number: 914291-61-5
• Molecular Weight: 625.20
• MDL number: MFCD28016588
• UNSPSC Code: 51111800
• PubChem Substance ID: 329825610
• NACRES: NA.77

Properties

• Assay: ≥97% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 20 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: O=C(CCC(C1=CC=CC=C1)=O)N2[C@H](C(N[C@@H](CCCNC(N)=N)C(NCC3CCCCC3)=O)=O)CC4=CC=CC=C4C2.Cl
• InChI: 1S/C33H44N6O4.ClH/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24;/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36);1H/t27-,28-;/m0./s1
• InChI key: XHGSJQNAEULTAR-DHBRAOIWSA-N

Description

Biochem/physiol Actions

PS372424 is a highly specific agonist of human CXCR3 that potently inhibits the migration of activated T cells toward the chemokine mixture in synovial fluid from patients with active rheumatoid arthritis. PS372424 activated ERK in T cells with a similar potency and kinetic to the natural ligand CXCL11.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable