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GW791343 trihydrochloride - ≥98%, high purity , CAS No.309712-55-8

COA

Grade & Purity:

≥98%

Cas Number: 309712-55-8
Molecular Weight: 483.81
PubChem CID: 9848159
PubChem SID: 488196360

In stock

Item Number

G129554

Grouped product items
SKU	Size	Availability	Price
G129554-5mg	5mg	10	$114.90
G129554-10mg	10mg	10	$175.90
G129554-25mg	25mg	10	$395.90
G129554-50mg	50mg	10	$692.90
G129554-100mg	100mg	10	$1,246.90

Allosteric modulator of P2X7receptors

View related series

Ion channel (2197) Membrane Transporter/Ion Channel (1822) P2X Receptor (58)

Basic Description

Synonyms	2-(3,4-difluoroanilino)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide trihydrochloride \| GW791343 HCl
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	P2X7allosteric modulator. Exhibits species-specific activity; acts as a negative allosteric modulator of human P2X7(pIC50= 6.9 - 7.2) and a positive allosteric modulator of rat P2X7.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid amides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid amides
Alternative Parents	Anilides Aniline and substituted anilines Benzylamines N-arylamides Phenylmethylamines Phenylalkylamines Toluenes Fluorobenzenes N-alkylpiperazines Secondary alkylarylamines Aryl fluorides Trialkylamines Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid amide - Anilide - Phenylmethylamine - Benzylamine - Phenylalkylamine - Aniline or substituted anilines - N-arylamide - Halobenzene - Secondary aliphatic/aromatic amine - Fluorobenzene - Aralkylamine - Toluene - N-alkylpiperazine - Aryl fluoride - Aryl halide - Piperazine - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Amine - Hydrochloride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	488196360
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196360
IUPAC Name	2-(3,4-difluoroanilino)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide;trihydrochloride
INCHI	InChI=1S/C20H24F2N4O.3ClH/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16;;;/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27);3*1H
InChIKey	WSBRAHWNJBXXJM-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)CN2CCNCC2)NC(=O)CNC3=CC(=C(C=C3)F)F.Cl.Cl.Cl
Isomeric SMILES	CC1=C(C=C(C=C1)CN2CCNCC2)NC(=O)CNC3=CC(=C(C=C3)F)F.Cl.Cl.Cl
PubChem CID	9848159
Molecular Weight	483.81

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
B2527079	Certificate of Analysis	Jan 16, 2025	G129554
C23231446	Certificate of Analysis	Jan 16, 2025	G129554
C23231447	Certificate of Analysis	Jan 16, 2025	G129554
C23231456	Certificate of Analysis	Jan 16, 2025	G129554
C23231457	Certificate of Analysis	Jan 16, 2025	G129554
C23231452	Certificate of Analysis	Jan 16, 2025	G129554
C23231451	Certificate of Analysis	Jan 16, 2025	G129554
C23231453	Certificate of Analysis	Jan 16, 2025	G129554
C23231454	Certificate of Analysis	Jan 16, 2025	G129554
C23231445	Certificate of Analysis	Jan 16, 2025	G129554
C23231450	Certificate of Analysis	Jan 16, 2025	G129554

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Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 48.38, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 48.38, Max Conc. mM: 100
Molecular Weight	483.800 g/mol
XLogP3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	482.122 Da
Monoisotopic Mass	482.122 Da
Topological Polar Surface Area	56.400 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	475.000
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	4

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