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Tafluprost acid

CAT: 0957-E7166Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-E7166Size:1 mg
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Description
Tafluprost acid (AFP-172), the active metabolite of Tafluprost, is a selective agonist of the prostanoid FP receptor, with Ki and IC50 of 0.4 nM and 0.53 nM, respectively, for the human prostanoid FP receptor. It also exhibits 126-fold weaker binding affinity for the prostanoid EP3 receptor, with an IC50 of 67 nM, compared to the FP receptor.
CAS Number
209860-88-8
Synonyms
AFP-172
Molecular Formula
C22H28F2O5
Storage Conditions
2 years -20°C liquid

Chemical Information

Tafluprost acid
CAS Number209860-88-8
PubChem CID9978917
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular FormulaC22H28F2O5
Molecular Weight410.5
XLogP3.3
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity557
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/C(COC2=CC=CC=C2)(F)F)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1
InChIKey
KIQXRQVVYTYYAZ-VKVYFNERSA-N
Chemical Structure
2D Structure
2D structure of Tafluprost acid
CAS: 209860-88-8
CID: 9978917
Formula: C22H28F2O5
MW: 410.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight410.5
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass410.19048031
Monoisotopic Mass410.19048031
Topological Polar Surface Area87 Ų
Heavy Atom Count29
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes