Lidorestat (IDD-676) - Moligand™, ≥95% , Inhibitor of aldo-keto reductase family 1 member B, CAS No.245116-90-9, Inhibitor of aldo-keto reductase family 1 member B

CAS: 245116-90-9 Cat. No.: L611531 Formule: C₁₈H₁₁F₃N₂O₂S Poids moléculaire: 376.35

GRADE & PURITY Moligand™, ≥95%

Synonyms

2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-indol-1-yl)acetic acid | Lidorestat anhydrous | IDD 676 | R3734K0M7L | IDD-676 | Lidorestat | IDD-000676-01

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Lidorestat (IDD-676) is a potent, selective  aldose reductase inhibitor with an IC50 of 5 nM. Lidorestat can be used for chronic diabetes complications. Lidorestat also improves nerve conduction and reduces cataract formation

Specifications

Synonymes

2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-indol-1-yl)acetic acid | Lidorestat anhydrous | IDD 676 | R3734K0M7L | IDD-676 | Lidorestat | IDD-000676-01

Spécifications et pureté

Moligand™, ≥95%

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.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of aldo-keto reductase family 1 member B

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528765385
• Sourires canoniques: C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)F
• IUPAC Name: 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid
• InChIKey: KYHVTMFADJNSGS-UHFFFAOYSA-N
• INCHI: 1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
• Isomères SMILES: C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)F
• CAS alternatif: 245116-90-9
• Termes d'entrée MeSH: 3-((4,5,7-trifluorobenzothiazol-2-yl)methyl)indole-N-acetic acid;lidorestat
• Poids moléculaire: 376.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: 3-alkylindoles Alpha amino acids and derivatives N-alkylindoles Benzothiazoles Substituted pyrroles Aryl fluorides Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - N-alkylindole - 3-alkylindole - 1,3-benzothiazole - Indole - Aryl fluoride - Aryl halide - Benzenoid - Substituted pyrrole - Azole - Heteroaromatic compound - Thiazole - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 376.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 376.049 Da
• Monoisotopic Mass: 376.049 Da
• Topological Polar Surface Area: 83.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 543.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1