≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Aganepag is a potent Prostanoid EP2 receptor agonist, with an EC 50 of 0.19 nM, and shows no activity at EP4 receptor. Aganepag can be used in the research of wound healing, scar reduction, scar prevention and wrinkle treatment and prevention.
In Vitro
Aganepag (Compound 3) is a potent Prostanoid EP2 receptor agonist, with an EC 50 of 0.19 nM, and shows no activity at EP4. Aganepag can be used in the research of wound healing, scar reduction, scar prevention and wrinkle treatment and prevention. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:EP2 0.19 nM (EC 50 )
| Canonical Smiles | CCCCCC(C1=CC=C(C=C1)N2C(CCC2=O)CCCC3=CC=C(S3)C(=O)O)O |
|---|---|
| IUPAC Name | 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylic acid |
| InChIKey | WXWCSPFQIXPFLD-RXVVDRJESA-N |
| INCHI | 1S/C24H31NO4S/c1-2-3-4-8-21(26)17-9-11-19(12-10-17)25-18(13-16-23(25)27)6-5-7-20-14-15-22(30-20)24(28)29/h9-12,14-15,18,21,26H,2-8,13,16H2,1H3,(H,28,29)/t18-,21-/m0/s1 |
| Isomeric SMILES | CCCCC[C@@H](C1=CC=C(C=C1)N2[C@H](CCC2=O)CCCC3=CC=C(S3)C(=O)O)O |
| Alternate CAS | 910562-18-4 |
| PubChem CID | 24759922 |
| Molecular Weight | 429.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Thiophene carboxylic acids 2,5-disubstituted thiophenes Pyrrolidine-2-ones Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Secondary alcohols Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Aromatic alcohols Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrolidine - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - Lactam - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Aromatic alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Solubility | DMSO : ≥ 45 mg/mL (104.76 mM) |
|---|---|
| Molecular Weight | 429.600 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 11 |
| Exact Mass | 429.197 Da |
| Monoisotopic Mass | 429.197 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 563.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
