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MS-PPOH

CAT: 0804-HY-114759-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-114759-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MS-PPOH is a potent and selective cytochrome P450 (CYP) epoxygenase inhibitor[1]. MS-PPOH inhibits CYP2C8 and CYP2C9 with IC50s of 15 and 11 μM, respectively[2]. MS-PPOH is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
206052-02-0
UNSPSC
12352005
Target
Cytochrome P450
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cancer; Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ms-ppoh.html
Purity
99.05
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(NS(=O)(C)=O)CCCCCC1=CC=CC=C1OCC#C
Molecular Formula
C16H21NO4S
Molecular Weight
323.41
References & Citations
[1]Kasem Nithipatikom, et al. Inhibition of carcinoma cell motility by epoxyeicosatrienoic acid (EET) antagonists. Cancer Sci. 2010 Dec;101 (12) :2629-36.|[2]Jun Yang, et al. Cytochrome P450 2C24: Expression, Tissue Distribution, High-Throughput Assay, and Pharmacological Inhibition. Acta Pharm Sin B. 2012 Apr;2 (2) :137-145.|[3]Jing Li, et al. Pharmacological manipulation of arachidonic acid-epoxygenase results in divergent effects on renal damage. Front Pharmacol. 2014 Aug 15;5:187.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CYP2

Chemical Information

N-Methylsulfonyl-6-(2-propargyloxyphenyl)hexanamide

inhibits rat renal microsomal arachidonic acid epoxidation

CAS Number206052-02-0
PubChem CID10087567
IUPAC NameN-methylsulfonyl-6-(2-prop-2-ynoxyphenyl)hexanamide
Molecular FormulaC16H21NO4S
Molecular Weight323.4
XLogP2.5
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity486
SMILES
CS(=O)(=O)NC(=O)CCCCCC1=CC=CC=C1OCC#C
InChI
InChI=1S/C16H21NO4S/c1-3-13-21-15-11-8-7-10-14(15)9-5-4-6-12-16(18)17-22(2,19)20/h1,7-8,10-11H,4-6,9,12-13H2,2H3,(H,17,18)
InChIKey
REUHFEYPDFRRGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methylsulfonyl-6-(2-propargyloxyphenyl)hexanamide
CAS: 206052-02-0
CID: 10087567
Formula: C16H21NO4S
MW: 323.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass323.11912932
Monoisotopic Mass323.11912932
Topological Polar Surface Area80.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity486
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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