PF-05241328 - ≥99% , CAS No.1387633-03-5

CAS: 1387633-03-5 Cat. No.: P648636 Molecular Weight: 436.91 PubChem CID: 68109743

GRADE & PURITY ≥99%

Synonyms

BDBM50466964 | P-345 | Q27896272 | DB15124 | 1-(5-Chloro-6-(2-methylpropoxy)-3-pyridinyl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide | 8RAL5N48VT | 1H-Indazole-5-carboxamide, 1-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-3-methyl-n-(methylsulfon

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

PF-05241328 is a potent and selective inhibitor of human Nav1.7 voltage-dependent sodium channels (Nav1.7) , with an IC 50 of 31 nM.

Form:Solid

IC50& Target:IC50: 31 nM (Nav1.7)

Specifications

Synonyms

BDBM50466964 | P-345 | Q27896272 | DB15124 | 1-(5-Chloro-6-(2-methylpropoxy)-3-pyridinyl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide | 8RAL5N48VT | 1H-Indazole-5-carboxamide, 1-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-3-methyl-n-(methylsulfon

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

PF-05241328 is a potent and selective inhibitor of human Nav1.7 voltage-dependent sodium channels (Nav1.7) , with an IC 50 of 31 nM.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=NN(C2=C1C=C(C=C2)C(=O)NS(=O)(=O)C)C3=CC(=C(N=C3)OCC(C)C)Cl
• IUPAC Name: 1-[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]-3-methyl-N-methylsulfonylindazole-5-carboxamide
• InChIKey: RVTSXVZXEGFIPW-UHFFFAOYSA-N
• INCHI: 1S/C19H21ClN4O4S/c1-11(2)10-28-19-16(20)8-14(9-21-19)24-17-6-5-13(7-15(17)12(3)22-24)18(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25)
• Isomeric SMILES: CC1=NN(C2=C1C=C(C=C2)C(=O)NS(=O)(=O)C)C3=CC(=C(N=C3)OCC(C)C)Cl
• PubChem CID: 68109743
• Molecular Weight: 436.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyrazolylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolylpyridines
• Alternative Parents: Indazoles Alkyl aryl ethers Benzenoids Aryl chlorides Pyrazoles Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-pyrazolylpyridine - Indazole - Benzopyrazole - Alkyl aryl ether - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazole - Azole - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
• 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

Associated Targets(Human)

SCN9A Tclin Sodium channel protein type 9 subunit alpha (1 Activities)

Discover Target: SCN9A

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

Associated Targets(non-human)

Scn9a Sodium channel protein type IX alpha subunit (69 Activities)

Discover Target: Scn9a

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (228.88 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 436.900 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 436.097 Da
• Monoisotopic Mass: 436.097 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 686.000
• 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