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
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
Biological target:
PS372424 HCl prevents human T-cell migration in a humanized model of arthritic inflammation.
In vitro activity:
To be determined
In vivo activity:
To be determined
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
250.0 |
399.87 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
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 |
Formulation protocol:
To be determined
In vitro protocol:
To be determined
In vivo protocol:
To be determined
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.
