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

CAS: 2007885-39-2 Cat. No.: L650838 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

Descripción general

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

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y 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)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Lysyl oxidase homolog 2 inhibitor

Pureza

≥99%

Propiedades del producto

• ALogP: 1.5

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: 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