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CAY10580

CAT: 0013-GTR19188888-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188888-02Size:1 mg
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Description
CAY10580 is a selective agonist for the prostaglandin EP4 receptor with high potency (Ki = 35 nM) . This compound is a valuable research tool for investigating EP4 receptor function in both in vitro assays and in vivo models related to inflammation, pain, and immune modulation.
CAS Number
64054-40-6
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O=C (O) CCCCCCN1C (=O) CCC1CCC (O) CCCCC
Molecular Formula
C19H35NO4
Molecular Weight
341.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid

2-(3-hydroxyoctyl)-5-oxo-1-pyrrolidineheptanoic acid is a pyrrolidin-2-one substituted by 6-carboxyhexyl and 3-hydroxyoctyl groups at positions 1 and 2, respectively. It is a potent prostaglandin EP4 receptor agonist (Ki=35 nM). It has a role as a prostaglandin receptor agonist. It is a secondary alcohol, a hydroxy monocarboxylic acid and a member of pyrrolidin-2-ones.

CAS Number64054-40-6
PubChem CID44269516
IUPAC Name7-[2-(3-hydroxyoctyl)-5-oxopyrrolidin-1-yl]heptanoic acid
Molecular FormulaC19H35NO4
Molecular Weight341.5
XLogP3.4
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count24
Formal Charge0
Complexity372
SMILES
CCCCCC(CCC1CCC(=O)N1CCCCCCC(=O)O)O
InChI
InChI=1S/C19H35NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)
InChIKey
CBWGHEDGUILASE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid
CAS: 64054-40-6
CID: 44269516
Formula: C19H35NO4
MW: 341.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass341.25660860
Monoisotopic Mass341.25660860
Topological Polar Surface Area77.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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