≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
PS372424 hydrochloride, a three amino-acid fragment of CXCL10, is a specific human CXCR3 agonist with anti-inflammatory activity. PS372424 hydrochloride prevents human T-cell migration in a humanized model of arthritic inflammation
In Vitro
PS372424 (100 ng/mL) increases p-Erk1 and p-Erk2 in U87-CXCR3-A cells after 5 min of stimulation. PS372424 (10-200 nM; 30 min) causes a concentration-dependent phosphorylation of CCR5 on CXCR3 + T cells not in CXCR3 - T cells. PS372424 competes for binding of radiolabeled CXCL10 to membranes prepared from HEK293/CXCR3 Gqi5 cells with an IC 50 of 42±21 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: CXCR3 + T cells and CXCR3 - T cells Concentration: 10, 50, 100, or 200 nM Incubation Time: 30 minutes Result: Caused a concentration-dependent phosphorylation of CCR5 on CXCR3 + T cells. Did not result in phosphorylation of CCR5 on CXCR3 - T cells.
Form:Solid
IC50& Target:Human CXCR3
| Canonical Smiles | C1CCC(CC1)CNC(=O)C(CCCN=C(N)N)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CCC(=O)C4=CC=CC=C4.Cl |
|---|---|
| IUPAC Name | (3S)-N-[(2S)-1-(cyclohexylmethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(4-oxo-4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride |
| InChIKey | XHGSJQNAEULTAR-DHBRAOIWSA-N |
| 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 |
| Isomeric SMILES | C1CCC(CC1)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)CCC(=O)C4=CC=CC=C4.Cl |
| Alternate CAS | 914291-61-5 |
| PubChem CID | 117064650 |
| Molecular Weight | 625.20 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Alkyl-phenylketones Alpha amino acid amides Butyrophenones Tetrahydroisoquinolines Piperidinecarboxamides N-acylpiperidines Benzoyl derivatives Aryl alkyl ketones N-acyl amines Alpha-branched alpha,beta-unsaturated ketones Tertiary carboxylic acid amides Enones Acryloyl compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-dipeptide - Alkyl-phenylketone - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Butyrophenone - Tetrahydroisoquinoline - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Phenylketone - Piperidinecarboxamide - 2-piperidinecarboxamide - N-acyl-piperidine - Aryl alkyl ketone - Aryl ketone - Benzoyl - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Piperidine - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Tertiary carboxylic acid amide - Enone - Acryloyl-group - Ketone - Guanidine - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
| External Descriptors | Not available |
| Solubility | DMSO : 250 mg/mL (399.87 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 625.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 13 |
| Exact Mass | 624.319 Da |
| Monoisotopic Mass | 624.319 Da |
| Topological Polar Surface Area | 160.000 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 970.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
