WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 561491
CAS#: 1596362-29-6 (HCl)
Description: PS372424 is a specific agonist of human CXCR3. It has been shown to induce phosphorylation of ERK and block CXCL11 induced migration of CD45+ cells to air pouches generated on humanized mice.
MedKoo Cat#: 561491
Name: PS372424 HCl
CAS#: 1596362-29-6 (HCl)
Chemical Formula: C33H45ClN6O4
Exact Mass:
Molecular Weight: 625.21
Elemental Analysis: C, 63.40; H, 7.26; Cl, 5.67; N, 13.44; O, 10.24
Related CAS #: 1596362-29-6 (HCl) 914291-61-5 (free base)
Synonym: PS372424 HCl; PS372424 Hydrochloride; PS372424; PS-372424; PS 372424;
IUPAC/Chemical Name: (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
InChi Key: XHGSJQNAEULTAR-DHBRAOIWSA-N
InChi Code: 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
SMILES Code: O=C([C@H]1N(C(CCC(C2=CC=CC=C2)=O)=O)CC3=C(C=CC=C3)C1)N[C@H](C(NCC4CCCCC4)=O)CCCNC(N)=N.[H]Cl
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 625.21 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: O'Boyle G, Fox CR, Walden HR, Willet JD, Mavin ER, Hine DW, Palmer JM, Barker CE, Lamb CA, Ali S, Kirby JA. 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. Epub 2012 Mar 5. Erratum in: Proc Natl Acad Sci U S A. 2012 May 15;109(20):7948. PubMed PMID: 22392992; PubMed Central PMCID: PMC3311336.
2: Stroke IL, Cole AG, Simhadri S, Brescia MR, Desai M, Zhang JJ, Merritt JR, Appell KC, Henderson I, Webb ML. Identification of CXCR3 receptor agonists in combinatorial small-molecule libraries. Biochem Biophys Res Commun. 2006 Oct 13;349(1):221-8. Epub 2006 Aug 11. PubMed PMID: 16930533.
