MS-PPOH

CAT: 0931-T41291-06Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T41291-06Size:25 mg

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CAS Number

206052-02-0

Target

Cytochromes P450

Related Pathways

Metabolism

Purity

0.9939

Bioactivity

MS-PPOH is a potent and selective inhibitor of cytochrome P450 (CYP) epoxygenase, specifically inhibiting CYP2C8 and CYP2C9 with IC50 values of 15 and 11 μM, respectively.

Smiles

C(CCCCC(NS(C)(=O)=O)=O)C1=C(OCC#C)C=CC=C1

Molecular Formula

C16H21NO4S

Molecular Weight

323.41

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

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

inhibits rat renal microsomal arachidonic acid epoxidation

CAS Number	206052-02-0
PubChem CID	10087567
IUPAC Name	N-methylsulfonyl-6-(2-prop-2-ynoxyphenyl)hexanamide
Molecular Formula	C16H21NO4S
Molecular Weight	323.4
XLogP	2.5
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	22
Formal Charge	0
Complexity	486

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

CAS: 206052-02-0

CID: 10087567

Formula: C16H21NO4S

MW: 323.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	323.4
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	323.11912932
Monoisotopic Mass	323.11912932
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	486
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
456669-01	MS-PPOH
C5234-50	PPOH
HY-119647R-01	PPOH (Standard)
HY-140382-01	Ms-PEG2-MS
HY-138324	Ms-PEG6-MS
MD176176-3	MS-PEG3-MS
MBS5769552	Ms-PEG7-Ms
MBS5769550	Ms-PEG4-Ms
573024	Ms-PEG8-Ms
573023	Ms-PEG5-Ms

MS-PPOH

Chemical Information

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