PF-04856264 - ≥98% , CAS No.1235397-05-3

CAS: 1235397-05-3 Cat. No.: P646186 Molecular Weight: 437.49 EC Number: 808-498-9 PubChem CID: 71718072

GRADE & PURITY ≥98%

Synonyms

AKOS025148666 | HY-12811 | PF-04856264, >=98% (HPLC) | NCGC00485173-01 | 3-cyano-4-(2-(1-methyl-1H-pyrazol-5-yl)phenoxy)-N-(thiazol-2-yl)benzenesulfonamide | SCHEMBL16530690 | MS-27840 | PF-04856264 | F1905-6532 | 3-Cyano-4-[2-(1-methyl-1H-pyrazol-5-yl)ph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

PF-04856264 is a potent and selective Nav1.7 inhibitor, with IC 50 s of 28, 131, 19, and 42 nM for human, mouse, cynomolgus monkey and dog Nav1.7, respectively. PF-04856264 has low potency against the rat Nav1.7 channel. PF-04856264 shows analgesic effect

In Vivo

PF-04856264 (3-30 mg/kg; i.p.) reverses OD1-induced pain behaviors. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: 6-8 weeks adult male C57BL/6J mice (OD1-induced spontaneous pain model)Dosage: 3, 30 mg/kg Administration: I.p. Result: Significantly reduced spontaneous pain behaviors in mice.

Form:Solid

IC50& Target:IC50: 28 (human Nav1.7), 131 nM (mouse Nav1.7), 19 nM (cynomolgus monkey Nav1.7), 42 nM (dog Nav1.7)

Specifications

Synonyms

AKOS025148666 | HY-12811 | PF-04856264, >=98% (HPLC) | NCGC00485173-01 | 3-cyano-4-(2-(1-methyl-1H-pyrazol-5-yl)phenoxy)-N-(thiazol-2-yl)benzenesulfonamide | SCHEMBL16530690 | MS-27840 | PF-04856264 | F1905-6532 | 3-Cyano-4-[2-(1-methyl-1H-pyrazol-5-yl)ph

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

PF-04856264 is a potent and selective Nav1.7 inhibitor, with IC 50 s of 28, 131, 19, and 42 nM for human, mouse, cynomolgus monkey and dog Nav1.7, respectively. PF-04856264 has low potency against the rat Nav1.7 channel. PF-04856264 shows analgesic effect

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

≥98%

Names and Identifiers

• Canonical Smiles: CN1C(=CC=N1)C2=CC=CC=C2OC3=C(C=C(C=C3)S(=O)(=O)NC4=NC=CS4)C#N
• IUPAC Name: 3-cyano-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• InChIKey: MKSKJVIBSRUWSZ-UHFFFAOYSA-N
• INCHI: 1S/C20H15N5O3S2/c1-25-17(8-9-23-25)16-4-2-3-5-19(16)28-18-7-6-15(12-14(18)13-21)30(26,27)24-20-22-10-11-29-20/h2-12H,1H3,(H,22,24)
• Isomeric SMILES: CN1C(=CC=N1)C2=CC=CC=C2OC3=C(C=C(C=C3)S(=O)(=O)NC4=NC=CS4)C#N
• PubChem CID: 71718072
• Molecular Weight: 437.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Phenylpyrazoles Diarylethers Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzonitriles Organosulfonamides Thiazoles Heteroaromatic compounds Aminosulfonyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Benzonitrile - Phenol ether - Organosulfonic acid amide - Azole - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Thiazole - Aminosulfonyl compound - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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 (6 Activities)

Discover Target: SCN9A

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

SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)

Discover Target: SCN5A

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

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 : 250 mg/mL (571.44 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 437.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 437.062 Da
• Monoisotopic Mass: 437.062 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 736.000
• 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