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PF 06409577 - ≥98%(HPLC), high purity , CAS No.1467057-23-3
Potent and selective allosteric activator of AMPK
Basic Description
Synonyms
AKOS030211017 | CCG-267937 | PF06409577; PF 06409577; PF-6409577; PF6409577; PF 6409577 | NCGC00096915-01 | 6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid | US9394285, 1 | EX-A2599 | Q27456575 | ZAA24004 | CS-8071 | s8335 | BS-1544
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
PF-06409577 preserves retinal pigment epithelium cells from UV radiation by activating AMPK (AMP-activated protein kinase) signaling. This orally bioavailable and possesses pharmacokinetic properties. PF-06409577 blocks de novo lipid and cholesterol synth
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.
Product Description
PF-06409577 is a 6-chloro-indole derivative obtained from 5-bromo-6-chloro-indole. PF-06409577 has been used to determine its potential as a therapeutic agent for diabetic nephropathy.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
Indoles Pyrrole carboxylic acids Substituted pyrroles Benzene and substituted derivatives Aryl chlorides Vinylogous amides Tertiary alcohols Heteroaromatic compounds Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Indole - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxylic acid - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Tertiary alcohol - Pyrrole - Cyclobutanol - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504772222
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772222
IUPAC Name
6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
INCHI
InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
InChIKey
FHQXLWCFSUSXBF-UHFFFAOYSA-N
Smiles
C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=C3)C(=CN4)C(=O)O)Cl)O
Isomeric SMILES
C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=C3)C(=CN4)C(=O)O)Cl)O
PubChem CID
71748255
Molecular Weight
341.79
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 34.18, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 6.84, Max Conc. mM: 20
Molecular Weight
341.800 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
341.082 Da
Monoisotopic Mass
341.082 Da
Topological Polar Surface Area
73.300 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
487.000
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
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