Structure Database (LMSD)
Common Name
PGF2alpha dimethyl amide
Systematic Name
N,N-dimethyl-9S,11R,15S-trihydroxy-5Z,13E-prostadien-1-amide
Synonyms
- Prostaglandin F2alpha dimethyl amide
3D model of PGF2alpha dimethyl amide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Prostaglandin F2α (PGF2α) dimethyl amide is a weak FP receptor antagonist.1 In gerbil colon, PGF2α dimethyl amide at a dose of 3.2 µg/ml inhibits the contractile effects of PGF2α (at 6 ng/ml) by 50%.1
This information has been provided by Cayman Chemical
References
1. Maddox, Y.T., Ramwell, P.T., Shiner, C.S., et al. Amide and l-amino derivatives of F prostaglandins as prostaglandin antagonists. Nature 273(5663), 549-552 (1978).
References
String Representations
InChiKey (Click to copy)
QGAWKBHDDFBNMX-GWSKAPOCSA-N
InChi (Click to copy)
InChI=1S/C22H39NO4/c1-4-5-8-11-17(24)14-15-19-18(20(25)16-21(19)26)12-9-6-7-10-13-22(27)23(2)3/h6,9,14-15,17-21,24-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
415.04
Topological Polar Surface Area
81.00
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.91
Molar Refractivity
110.74
Admin
Created at
-
Updated at
3rd Jun 2021