Lenumlostat - ≥99% , Lysyl oxidase homolog 2 inhibitor, CAS No.2007885-39-2, Lysyl oxidase homolog 2 inhibitor

CAS: 2007885-39-2 Cat. No.: L650838 Fórmula: C₁₈H₁₇F₄N₃O₃ Peso molecular: 399.34 PubChem CID: 122536283

GRADE & PURITY ≥99%

Synonyms

HY-107422 | 2098884-52-5 | US10774069, Compound 1 | ODGXXYXJORZPHE-ZIAGYGMSSA-N | rel-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)((3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl)methanone | AKOS040733975 | GLXC-26901 | PAT-1251 | SCHEMBL180

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

PAT-1251 is a potent, selective and oral lysyl oxidase-like 2 ( LOXL2 ) inhibitor, with IC 50 s of 0.71 and 1.17 μM for hLOXL2 and hLOXL3, respectively, and also potently inhibits mouse, rat, and dog LOXL2 ( IC 50 s, 0.10, 0.12, and 0.16 μM, respectively); PAT-1251 is used in the research of fibrotic diseases

In Vitro

PAT-1251 is a Lysyl Oxidase-Like 2 (LOXL2) inhibitor, with IC 50 s of 0.71 and 1.17 μM for hLOXL2 and hLOXL3, respectively, and also potently inhibits mouse, rat, and dog LOXL2 (IC 50 s, 0.10, 0.12, and 0.16 μM, respectively). PAT-1251 shows highly selective for LOXL2 over other key members of the amine oxidase family, such as the copper-dependent amine oxidases semicarbazide-sensitive amine oxidase (SSAO) and diamine oxidase (DAO), in addition to the flavin-dependent monoamine oxidases A (MAO-A) and B (MAO-B), with <10% inhibition at 10 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 0.10 μM (Mouse LOXL2), 0.12 μM (Rat LOXL2), 0.16 μM (Dog LOXL2), 0.71 μM (hLOXL2), 1.17 μM (hLOXL3)

Specifications

Sinónimos

HY-107422 | 2098884-52-5 | US10774069, Compound 1 | ODGXXYXJORZPHE-ZIAGYGMSSA-N | rel-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)((3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl)methanone | AKOS040733975 | GLXC-26901 | PAT-1251 | SCHEMBL180

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

PAT-1251 is a potent, selective and oral lysyl oxidase-like 2 ( LOXL2 ) inhibitor, with IC 50 s of 0.71 and 1.17 μM for hLOXL2 and hLOXL3, respectively, and also potently inhibits mouse, rat, and dog LOXL2 ( IC 50 s, 0.10, 0.12, and 0.16 μM, respectively)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Tipo de ação

INHIBITOR

Mecanismo de ação

Lysyl oxidase homolog 2 inhibitor

Pureza

≥99%

Propriedades do produto

• ALogP: 1.5

Nomes e identificadores

• Sorrisos canónicos: C1C(C(CN1C(=O)C2=CC(=CC=C2)OC3=CC(=CC(=N3)C(F)(F)F)CN)F)O
• IUPAC Name: [3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
• InChIKey: ODGXXYXJORZPHE-ZIAGYGMSSA-N
• INCHI: 1S/C18H17F4N3O3/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22/h1-6,13-14,26H,7-9,23H2/t13-,14-/m1/s1
• SMILES isoméricas: C1[C@H]([C@@H](CN1C(=O)C2=CC(=CC=C2)OC3=CC(=CC(=N3)C(F)(F)F)CN)F)O
• CAS alternativo: 2098884-52-5
• PubChem CID: 122536283
• Peso molecular: 399.34

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: Benzamides
• Alternative Parents: Polyhalopyridines Phenol ethers N-acylpyrrolidines Benzoyl derivatives Hydroxypyridines 2-halopyridines N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Fluorohydrins Ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Polyhalopyridine - Phenol ether - N-acylpyrrolidine - Benzoyl - 2-halopyridine - Hydroxypyridine - Pyridine - N-acyl-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Secondary alcohol - Halohydrin - Fluorohydrin - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene 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

Propriedades químicas e físicas

• Solubilidade: DMSO : ≥ 130 mg/mL (325.54 mM) H2O : ≥ 100 mg/mL (250.41 mM)
• Peso molecular: 399.300 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 399.121 Da
• Monoisotopic Mass: 399.121 Da
• Topological Polar Surface Area: 88.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 551.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 2007885-39-2, the molecular formula is C18H17F4N3O3, and the molecular weight is 399.34 g/mol. InChIKey ODGXXYXJORZPHE-ZIAGYGMSSA-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.