ADH-503 - ≥98% , CAS No.2055362-74-6

CAS: 2055362-74-6 Cat. No.: A412436 Formule: C₂₇H₂₈N₂O₅S₂ Poids moléculaire: 524.65 PubChem CID: 145711124

QUALITÉ & PURETÉ ≥98%

Synonyms

4-[5-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate;2-hydroxyethyl(trimethyl)azanium | 2055362-74-6 | BS-16425 | LA1 | D81257 | 2-Hydroxy-N,N,N-trimethylethan-1-aminium (Z)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

ADH-503 ADH-503 ((Z)-Leukadherin-1 choline) is an orally active and allosteric agonist of CD11b. ADH-503 leads to the repolarization of tumor-associated macrophages, reduction in the number of tumor-infiltrating immunosuppressive myeloid cells, and enhances dendritic cell responses.

Spécifications

Synonymes

4-[5-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate;2-hydroxyethyl(trimethyl)azanium | 2055362-74-6 | BS-16425 | LA1 | D81257 | 2-Hydroxy-N,N,N-trimethylethan-1-aminium (Z)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolid

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

ADH-503 ((Z)-Leukadherin-1 choline) is an orally active and allosteric agonist of CD11b. ADH-503 leads to the repolarization of tumor-associated macrophages, reduction in the number of tumor-infiltrating immunosuppressive myeloid cells, and enhances dendr

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504773586

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773586

Sourires canoniques

C[N+](C)(C)CCO.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]benzoate;2-hydroxyethyl(trimethyl)azanium

InChIKey

GOWDQYRMBCOOJR-JHMJKTBASA-M

INCHI

1S/C22H15NO4S2.C5H14NO/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;1-6(2,3)4-5-7/h1-12H,13H2,(H,25,26);7H,4-5H2,1-3H3/q;+1/p-1/b19-12-;

Isomères SMILES

C[N+](C)(C)CCO.C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])/SC2=S

PubChem CID

145711124

Poids moléculaire

524.65

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 Cholines Thiazolidinethiones Tetraalkylammonium salts Heteroaromatic compounds Furans Cyclic dithiocarbamic acid esters Carboxylic acid salts 1,2-aminoalcohols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organosulfur compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Benzoic acid - Benzoyl - Choline - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Tetraalkylammonium salt - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazolidine - Quaternary ammonium salt - Furan - Carboxylic acid salt - 1,2-aminoalcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro Ethanol: mg/mL
• Sensibilité: Moisture sensitive
• Poids moléculaire: 524.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 524.144 Da
• Monoisotopic Mass: 524.144 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 721.000
• 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: 2

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 2055362-74-6, the molecular formula is C27H28N2O5S2, and the molecular weight is 524.65 g/mol. InChIKey GOWDQYRMBCOOJR-JHMJKTBASA-M.

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.