Leukadherin-1 - 10mM in DMSO , CAS No.344897-95-6

CAS: 344897-95-6 Cat. No.: L423514 Fórmula: C₂₂H₁₅NO₄S₂ Peso molecular: 421.49

GRADE & PURITY 10mM in DMSO

Synonyms

Leukadherin 1 | SCHEMBL18301010 | HY-15701 | (Z)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoicacid | 4-(5-{[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid | 4-[5-[(Z)-(3-benzyl-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

Leukadherin 1 | SCHEMBL18301010 | HY-15701 | (Z)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoicacid | 4-(5-{[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid | 4-[5-[(Z)-(3-benzyl-

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Integrin CD11b/CD19 agonist. Increases CD11b/CD18-dependent cell adhesion in vitro resulting in decreased chemotaxis and transendothelial migration. Decreases leukocyte recruitment and reduces arterial narrowing after injury.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

AGONIST

Nomes e identificadores

• Pubchem Sid: 528765381
• Sorrisos canónicos: C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)SC2=S
• IUPAC Name: 4-[5-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
• InChIKey: AEZGRQSLKVNPCI-UNOMPAQXSA-N
• INCHI: 1S/C22H15NO4S2/c24-20-19(29-22(28)23(20)13-14-4-2-1-3-5-14)12-17-10-11-18(27-17)15-6-8-16(9-7-15)21(25)26/h1-12H,13H2,(H,25,26)/b19-12-
• SMILES isoméricas: C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/SC2=S
• Peso molecular: 421.49
• Reaxy-Rn: 28009878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28009878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Thiazolidinethiones Heteroaromatic compounds Furans Cyclic dithiocarbamic acid esters Oxacyclic compounds Carboxylic acids Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Furan - Thiazolidine - Dithiocarbamic acid ester - Heteroaromatic compound - Organoheterocyclic compound - Carboxylic acid - Azacycle - Oxacycle - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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

Propriedades químicas e físicas

• Peso molecular: 421.500 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 421.044 Da
• Monoisotopic Mass: 421.044 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 680.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1