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Aganepag

CAT: 0013-GTR19204088-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204088-03Size:100 mg
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Description
Aganepag is a highly selective EP2 receptor agonist (EC50 = 0.19 nM) with no activity at EP4. It is a research tool for studying wound healing, scar modulation, and wrinkle treatment, with applications in both in vitro cellular assays and in vivo preclinical models of tissue repair.
CAS Number
910562-18-4
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
CCCCC[C@H] (O) c1ccc (cc1) N1[C@@H] (CCCc2ccc (s2) C (O) =O) CCC1=O
Molecular Formula
C24H31NO4S
Molecular Weight
429.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aganepag
CAS Number910562-18-4
PubChem CID24759922
IUPAC Name5-[3-[(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylic acid
Molecular FormulaC24H31NO4S
Molecular Weight429.6
XLogP5.1
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity563
SMILES
CCCCC[C@@H](C1=CC=C(C=C1)N2[C@H](CCC2=O)CCCC3=CC=C(S3)C(=O)O)O
InChI
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
InChIKey
WXWCSPFQIXPFLD-RXVVDRJESA-N
Chemical Structure
2D Structure
2D structure of Aganepag
CAS: 910562-18-4
CID: 24759922
Formula: C24H31NO4S
MW: 429.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass429.19737964
Monoisotopic Mass429.19737964
Topological Polar Surface Area106 Ų
Heavy Atom Count30
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA5726-1Aganepag
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A20794-100Aganepag 100mg

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