ChemicalBook--->CAS DataBase List--->914291-61-5

914291-61-5

914291-61-5 Structure

914291-61-5 Structure
IdentificationBack Directory
[Name]

PS372424
[CAS]

914291-61-5
[Synonyms]

PS372424
3-Isoquinolinecarboxamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[(cyclohexylmethyl)amino]carbonyl]butyl]-2-(1,4-dioxo-4-phenylbutyl)-1,2,3,4-tetrahydro-, (3S)-
[Molecular Formula]

C33H44N6O4
[MDL Number]

MFCD32174266
[MOL File]

914291-61-5.mol
[Molecular Weight]

588.74
Chemical PropertiesBack Directory
[density ]

1.29±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

13.47±0.20(Predicted)
[color ]

White to off-white
[InChIKey]

XHGSJQNAEULTAR-DHBRAOIWSA-N
[SMILES]

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
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P264-P270-P301+P310-P321-P330-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

PS372424, a three amino-acid fragment of CXCL10, is a specific human CXCR3 agonist with anti-inflammatory activity. PS372424 prevents human T-cell migration in a humanized model of arthritic inflammation[1][2].
[Biological Activity]

PS372424 is a highly specific agonist of human CXCR3 th at 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.
[IC 50]

Human CXCR3
[References]

[1] Boyé K, et al. The role of CXCR3/LRP1 cross-talk in the invasion of primary brain tumors. Nat Commun. 2017 Nov 17;8(1):1571. DOI:10.1038/s41467-017-01686-y
[2] O'Boyle G, et al. Chemokine receptor CXCR3 agonist prevents human T-cell migration in a humanized model of arthritic inflammation. Proc Natl Acad Sci U S A. 2012 Mar 20;109(12):4598-603. DOI:10.1073/pnas.1118104109
[3] Stroke IL, et al. Identification of CXCR3 receptor agonists in combinatorial small-molecule libraries. Biochem Biophys Res Commun. 2006 Oct 13;349(1):221-8. DOI:10.1016/j.bbrc.2006.08.019
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