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PF 5274857 hydrochloride - ≥98%(HPLC), high purity , CAS No.1613439-62-5

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1613439-62-5
Molecular Weight: 473.42
PubChem CID: 90489027
PubChem SID: 504772615

In stock

Item Number

P287187

Grouped product items
SKU	Size	Availability	Price
P287187-5mg	5mg	2	$114.90
P287187-10mg	10mg	2	$175.90
P287187-25mg	25mg	2	$395.90
P287187-50mg	50mg	2	$740.90
P287187-100mg	100mg	2	$1,332.90

High affinity and selective Smoothened (Smo) receptor antagonist

View related series

Smo (39) Stem Cell/Wnt (1019)

Basic Description

Synonyms	1-[4-(5'-Chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl-1-piperazinyl]-3-(methylsulfonyl)-1-propanone hydrochloride
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	High affinity and selective Smoothened (Smo) receptor antagonist (Ki= 4.6 nM). Exhibits >1000-fold selectivity for Smo over a panel of other receptors, ion channels and enzymes. Inhibits Shh-induced Hedgehog signaling in MEF cells. Induces tumor regressio
Storage Temp	Store at -20°C,Desiccated
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 Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpiperazines
Alternative Parents	N-arylpiperazines Bipyridines and oligopyridines Dialkylarylamines Aminopyridines and derivatives Methylpyridines Aryl chlorides Imidolactams Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bipyridine - Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Carboxamide group - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
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	504772615
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772615
IUPAC Name	1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one;hydrochloride
INCHI	InChI=1S/C20H25ClN4O3S.ClH/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28;/h10-13H,4-9H2,1-3H3;1H
InChIKey	GULNFUQAVPTTQV-UHFFFAOYSA-N
Smiles	CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C.Cl
Isomeric SMILES	CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C.Cl
PubChem CID	90489027
Molecular Weight	473.42

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2505011	Certificate of Analysis	Dec 02, 2022	P287187
C2308860	Certificate of Analysis	Dec 02, 2022	P287187
C2308883	Certificate of Analysis	Dec 02, 2022	P287187
C2308861	Certificate of Analysis	Dec 02, 2022	P287187
C2308977	Certificate of Analysis	Dec 02, 2022	P287187
C2308974	Certificate of Analysis	Dec 02, 2022	P287187

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 47.34, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 47.34, Max Conc. mM: 100
Molecular Weight	473.400 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	472.11 Da
Monoisotopic Mass	472.11 Da
Topological Polar Surface Area	91.900 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	663.000
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	2

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