GK187 - ≥98% , CAS No.1071001-50-7

CAS: 1071001-50-7 Cat. No.: G647067 Formula: C₁₄H₁₅F₅O₂ Molecular Weight: 310.26 PubChem CID: 25060072

GRADE & PURITY ≥98%

Synonyms

1,1,1,2,2-pentafluoro-7-(4-methoxyphenyl)-3-heptanone | CICDFDPOGZQTQB-UHFFFAOYSA-N | GK187 | SCHEMBL13498547 | 1,1,1,2,2-pentafluoro-7-(4-methoxyphenyl)heptan-3-one | DTXSID401348609 | MS-24504 | HY-125986 | 1071001-50-7 | AKOS040755686

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GK187 is a potent and selective Group VIA calcium-independent phospholipase A 2 (GVIA iPLA 2 ) inhibitor with an X I (50) value of 0.0001. GK187 can be used for researching various neurological disorders [The X I (50) is the mole fraction of the inhibitor in the total substrate interface required to inhibit the enzyme by 50%.]

Form:Liquid

IC50& Target:X I (50): 0.0001 (GVIA iPLA 2 )

Specifications

Synonyms

1,1,1,2,2-pentafluoro-7-(4-methoxyphenyl)-3-heptanone | CICDFDPOGZQTQB-UHFFFAOYSA-N | GK187 | SCHEMBL13498547 | 1,1,1,2,2-pentafluoro-7-(4-methoxyphenyl)heptan-3-one | DTXSID401348609 | MS-24504 | HY-125986 | 1071001-50-7 | AKOS040755686

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

GK187 is a potent and selective Group VIA calcium-independent phospholipase A 2 (GVIA iPLA 2 ) inhibitor with an X I (50) value of 0.0001. GK187 can be used for researching various neurological disorders. [The X I (50) is the mole fraction of the inh

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.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)CCCCC(=O)C(C(F)(F)F)(F)F
• IUPAC Name: 1,1,1,2,2-pentafluoro-7-(4-methoxyphenyl)heptan-3-one
• InChIKey: CICDFDPOGZQTQB-UHFFFAOYSA-N
• INCHI: 1S/C14H15F5O2/c1-21-11-8-6-10(7-9-11)4-2-3-5-12(20)13(15,16)14(17,18)19/h6-9H,2-5H2,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)CCCCC(=O)C(C(F)(F)F)(F)F
• PubChem CID: 25060072
• Molecular Weight: 310.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Alpha-haloketone - Ketone - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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)

PLA2G4A Tchem Cytosolic phospholipase A2 (785 Activities)

Discover Target: PLA2G4A

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

PLA2G6 Tchem Calcium-independent phospholipase A2 (359 Activities)

Discover Target: PLA2G6

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

PLA2G5 Tchem Phospholipase A2 group V (238 Activities)

Discover Target: PLA2G5

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (322.31 mM; Need ultrasonic)
• Molecular Weight: 310.260 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 310.099 Da
• Monoisotopic Mass: 310.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 333.000
• 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