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.
| 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 | 625.2 |
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 |
