PF 06409577 - ≥98%(HPLC) , CAS No.1467057-23-3

CAS: 1467057-23-3 Cat. No.: P288156 Molecular Weight: 341.79 EC Number: 110-458-4 PubChem CID: 71748255

GRADE & PURITY ≥98%(HPLC)

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 | s8335 | BS-15440 | UNII-A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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.

Specifications

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 | s8335 | BS-15440 | UNII-A

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

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504772222
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772222
• Canonical Smiles: C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=C3)C(=CN4)C(=O)O)Cl)O
• IUPAC Name: 6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
• InChIKey: FHQXLWCFSUSXBF-UHFFFAOYSA-N
• 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)
• 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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

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PRKAB1 Tchem AMP-activated protein kinase, beta-1 subunit (56 Activities)

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SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)

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PRKAA2 Tchem AMP-activated protein kinase, AMPK (12273 Activities)

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

PRKAG1 Tchem AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 (619 Activities)

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PRKAB2 Tchem AMPK alpha1/beta2/gamma1 (35 Activities)

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

PRKAA2 Tchem AMPK alpha2/beta1/gamma1 (210 Activities)

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PRKAA2 Tchem AMPK alpha2/beta2/gamma1 (80 Activities)

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PRKAA2 Tchem AMPK alpha2/beta2/gamma3 (24 Activities)

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Associated Targets(non-human)

Canis familiaris (36305 Activities)

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Rattus norvegicus (775804 Activities)

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Vero (26788 Activities)

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Cynomolgus monkey (4946 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

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Blood (6 Activities)

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Plasma (328 Activities)

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Prkaa1 5'-AMP-activated protein kinase catalytic subunit alpha-1/beta-1/gamma-1 (3 Activities)

Discover Target: Prkaa1

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MDCKII-LE (120 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

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