Synonym: (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
CAS Number: 914291-61-5 (free base)
Empirical Formula (Hill Notation): C33H44N6O4 · HCl
Molecular Weight: 625.20
MDL Number: MFCD28016588
Linear Formula: C33H44N6O4 · HCl
Product Type: Chemical
| assay |
≥97% (HPLC) |
| color |
white to beige |
| form |
powder |
| 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 |
| Quality Level |
100  |
| 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 |
| solubility |
DMSO: 20 mg/mL, clear |
| storage temp. |
2-8°C |
| 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. |
| Biochem/physiol Actions: |
PS372424 is a highly specific agonist of human CXCR3; anti-inflammatory. |
| Packaging: |
5, 25 mg in glass bottle |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥97% (HPLC) |
| Storage Temp. |
2-8°C |
| UNSPSC |
51111800 |
