PS372424 , CAS No.914291-61-5

CAS: 914291-61-5 Cat. No.: P1431069 분자식: C₃₃H₄₅ClN₆O₄ 분자량: 625.2 EC 번호: 806-092-6 PubChem CID: 117064650

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

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.

Specifications

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

AGONIST

이름과 식별자

• 정식 스마일: 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
• 이성체 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
• 대체 CAS: 914291-61-5
• PubChem CID: 117064650
• 분자량: 625.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

자주 묻는 질문

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 914291-61-5, the molecular formula is C33H45ClN6O4, and the molecular weight is 625.2 g/mol. InChIKey XHGSJQNAEULTAR-DHBRAOIWSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.