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CAY10509

CAT: 0931-T203384-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203384-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1245699-47-1
Target
Prostaglandin Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein
Bioactivity
CAY10509 is a PGF2α analogue and acts as an FP receptor inhibitor with an IC50 of 30 nM. It shows potential for use in studying the physiological regulatory mechanisms related to prostaglandins.
Smiles
C(C[C@H](CSC1=C(F)C=CC=C1)O)[C@@H]2[C@@H](CCCCCCC(OC)=O)[C@@H](O)C[C@H]2O
Molecular Formula
C23H35FO5S
Molecular Weight
442.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 7-(2-{4-[(2-fluorophenyl)sulfanyl]-3-hydroxybutyl}-3,5-dihydroxycyclopentyl)heptanoate
CAS Number1245699-47-1
PubChem CID53393957
IUPAC Namemethyl 7-[2-[4-(2-fluorophenyl)sulfanyl-3-hydroxybutyl]-3,5-dihydroxycyclopentyl]heptanoate
Molecular FormulaC23H35FO5S
Molecular Weight442.6
XLogP4.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count30
Formal Charge0
Complexity494
SMILES
COC(=O)CCCCCCC1C(CC(C1CCC(CSC2=CC=CC=C2F)O)O)O
InChI
InChI=1S/C23H35FO5S/c1-29-23(28)11-5-3-2-4-8-17-18(21(27)14-20(17)26)13-12-16(25)15-30-22-10-7-6-9-19(22)24/h6-7,9-10,16-18,20-21,25-27H,2-5,8,11-15H2,1H3
InChIKey
WXWNDRIOPFNYII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 7-(2-{4-[(2-fluorophenyl)sulfanyl]-3-hydroxybutyl}-3,5-dihydroxycyclopentyl)heptanoate
CAS: 1245699-47-1
CID: 53393957
Formula: C23H35FO5S
MW: 442.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.6
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass442.21892355
Monoisotopic Mass442.21892355
Topological Polar Surface Area112 Ų
Heavy Atom Count30
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
sc-223867ACAY10509

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