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MPGES1-IN-7

CAT: 0804-HY-118282-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118282-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MPGES-1-IN-2 (compound III) is a benzimidazole-based mPGES-1 inhibitor that also inhibits adipophysin PGD synthase (I-PGDS) (5 μM, IR=60 %). mPGES-1-IN-2 reduces PGE2 production and tends to reduce levels of other prostaglandins. mPGES-1-IN-2 effectively inhibits acute inflammation in an air sac model stimulated by Carrageenan in mice[1].
CAS Number
1268709-57-4
UNSPSC
12352005
Target
PGE synthase
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/mpges1-in-7.html
Purity
99.78
Solubility
DMSO : 33.33 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(NC1CCCC1)C2CCN(CC2)C3=NC4=CC(C)=C(C=C4N3C(C)C)C
Molecular Formula
C23H34N4O
Molecular Weight
382.54
References & Citations
[1]Leclerc P, et al. Characterization of a human and murine mPGES-1 inhibitor and comparison to mPGES-1 genetic deletion in mouse models of inflammation. Prostaglandins Other Lipid Mediat. 2013 Dec;107:26-34.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-Cyclopentyl-1-(1-isopropyl-5,6-dimethyl-1H-benzo[d]imidazol-2-yl)piperidine-4-carboxamide
CAS Number1268709-57-4
PubChem CID67033699
IUPAC NameN-cyclopentyl-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide
Molecular FormulaC23H34N4O
Molecular Weight382.5
XLogP4.4
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity539
SMILES
CC1=CC2=C(C=C1C)N(C(=N2)N3CCC(CC3)C(=O)NC4CCCC4)C(C)C
InChI
InChI=1S/C23H34N4O/c1-15(2)27-21-14-17(4)16(3)13-20(21)25-23(27)26-11-9-18(10-12-26)22(28)24-19-7-5-6-8-19/h13-15,18-19H,5-12H2,1-4H3,(H,24,28)
InChIKey
FPPVJOTXZIRXTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Cyclopentyl-1-(1-isopropyl-5,6-dimethyl-1H-benzo[d]imidazol-2-yl)piperidine-4-carboxamide
CAS: 1268709-57-4
CID: 67033699
Formula: C23H34N4O
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass382.27326172
Monoisotopic Mass382.27326172
Topological Polar Surface Area50.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity539
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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