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PF-06409577

CAT: 1596-AR-P33626-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P33626-02Size:25 Units
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CAS Number
1467057-23-3
Synonyms
6-chloro-5-[4- (1-hydroxycyclobutyl) phenyl]-1H-indole-3-carboxylic acid
Molecular Formula
C19H16ClNO3
Molecular Weight
341.79
API Name
PF-06409577

Chemical Information

PF-06409577

PF-06409577 is a chloroindole that is 6-chloro-1H-indole substituted by carboxy and 4-(1-hydroxycyclobutyl)phenyl groups at positions 3 and 5, respectively. It is a potent and selective allosteric activator of AMPK and a potential treatment for diabetic nephropathy. It has a role as an antiatherosclerotic agent, an antineoplastic agent, a nephroprotective agent and an EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator. It is a member of cyclobutanes, a member of benzenes, a tertiary alcohol, an indolecarboxylic acid and a chloroindole.

CAS Number1467057-23-3
PubChem CID71748255
IUPAC Name6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
Molecular FormulaC19H16ClNO3
Molecular Weight341.8
XLogP3.6
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity487
SMILES
C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=C3)C(=CN4)C(=O)O)Cl)O
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
Chemical Structure
2D Structure
2D structure of PF-06409577
CAS: 1467057-23-3
CID: 71748255
Formula: C19H16ClNO3
MW: 341.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.8
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass341.0818711
Monoisotopic Mass341.0818711
Topological Polar Surface Area73.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A4689-5PF-06409577
BP166583-01PF 06409577
A16801-10PF-06409577 10mg

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