PF-03463275 - ≥99% , CAS No.1173239-39-8

CAS: 1173239-39-8 Cat. No.: P649439 Molecular Weight: 376.86 PubChem CID: 44156901

GRADE & PURITY ≥99%

Synonyms

1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-4-fluoro-benzyl)-(3-methyl-3-aza-bicyclo[3.1.0]hex-6-ylmethyl)-amide | N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide | 117323

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

PF-03463275 is a centrally penetrant, orally available, selective, and competitive GlyT1 (glycine transporter-1) reversible inhibitor, with a K i of 11.6 nM. PF-03463275 has the potential for Schizophrenia research.

In Vivo

PF-03463275 (1-10 mg/kg; s.c.) attenuates oscillatory potentials (OPs). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Sprague-Dawley ratsDosage: 1, 3 and 10 mg/kg Administration: S.c. Result: A dose-dependent reduction in the amplitude of oscillatory potentials (OPs) elicited from the dark-adapted rats.

Form:Solid

Specifications

Synonyms

1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-4-fluoro-benzyl)-(3-methyl-3-aza-bicyclo[3.1.0]hex-6-ylmethyl)-amide | N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R, 5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide | 117323

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

PF-03463275 is a centrally penetrant, orally available, selective, and competitive GlyT1 (glycine transporter-1) reversible inhibitor, with a K i of 11.6 nM. PF-03463275 has the potential for Schizophrenia research.

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: CN1CC2C(C1)C2CN(CC3=CC(=C(C=C3)F)Cl)C(=O)C4=CN(C=N4)C
• IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
• InChIKey: KYLOBHXXQOZRKK-YIONKMFJSA-N
• INCHI: 1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15?
• Isomeric SMILES: CN1C[C@@H]2[C@H](C1)C2CN(CC3=CC(=C(C=C3)F)Cl)C(=O)C4=CN(C=N4)C
• Alternate CAS: 1173239-39-8
• PubChem CID: 44156901
• MeSH Entry Terms: 1-methyl-1H-imidazole-4-carboxylic acid (3-chloro-4-fluoro-benzyl)-(3-methyl-3-aza-bicyclo(3.1.0) hex-6-ylmethyl)amide;PF-03463275;PF-3463275
• Molecular Weight: 376.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 2-heteroaryl carboxamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: 2-heteroaryl carboxamides
• Alternative Parents: Carbonylimidazoles Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides N-alkylpyrrolidines N-substituted imidazoles Piperidines Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Amine - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide 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)

SLC6A9 Tchem Sodium- and chloride-dependent glycine transporter 1 (1 Activities)

Discover Target: SLC6A9

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

SLC6A5 Tchem Glycine transporter 2 (697 Activities)

Discover Target: SLC6A5

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

Associated Targets(non-human)

Slc6a9 Glycine transporter 1 (255 Activities)

Discover Target: Slc6a9

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 33.33 mg/mL (88.44 mM; Need ultrasonic)
• Molecular Weight: 376.900 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 376.147 Da
• Monoisotopic Mass: 376.147 Da
• Topological Polar Surface Area: 41.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 526.000
• 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