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 분자식: C₁₈H₁₁F₃N₂O₂S 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of aldo-keto reductase family 1 member B

순수함

≥95%

이름과 식별자

• Pubchem Sid: 528765385
• 정식 스마일: 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)
• 이성체 SMILES: C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)F
• 대체 CAS: 245116-90-9
• MeSH 용어: 3-((4,5,7-trifluorobenzothiazol-2-yl)methyl)indole-N-acetic acid;lidorestat
• 분자량: 376.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

AKR1B1 Tclin Aldose reductase (3 Activities)

Discover Target: AKR1B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKR1A1 Tchem Aldehyde reductase (91 Activities)

Discover Target: AKR1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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