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Evatanepag

CAS No.:
223488-57-1
Catalog Number:
AG00BF7G
Molecular Formula:
C25H28N2O5S
Molecular Weight:
468.5652
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$307
- +
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00BF7G
Chemical Name:
Evatanepag
CAS Number:
223488-57-1
Molecular Formula:
C25H28N2O5S
Molecular Weight:
468.5652
MDL Number:
MFCD09833940
IUPAC Name:
2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
InChI:
InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
InChI Key:
WOHRHWDYFNWPNG-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C
UNII:
L266R6E31E
Properties
Complexity:
722  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.172g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
468.568g/mol
Monoisotopic Mass:
468.172g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Discovery of CP-533536: an EP2 receptor selective prostaglandin E2 (PGE2) agonist that induces local bone formation. Bioorganic & medicinal chemistry letters 20090401
CYP2C8- and CYP3A-mediated C-demethylation of (3-{[(4-tert-butylbenzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid (CP-533,536), an EP2 receptor-selective prostaglandin E2 agonist: characterization of metabolites by high-resolution liquid chromatography-tandem mass spectrometry and liquid chromatography/mass spectrometry-nuclear magnetic resonance. Drug metabolism and disposition: the biological fate of chemicals 20081001
In vitro pharmacological characterization of CJ-042794, a novel, potent, and selective prostaglandin EP(4) receptor antagonist. Life sciences 20080116
Effects of gestational age on prostaglandin EP receptor expression and functional involvement during in vitro contraction of the guinea pig uterus. Prostaglandins, leukotrienes, and essential fatty acids 20080101
Metabolism, excretion, and pharmacokinetics of (3-{[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid, an EP2 receptor-selective prostaglandin E2 agonist, in male and female Sprague-Dawley rats. Drug metabolism and disposition: the biological fate of chemicals 20050801
Prostaglandin E2 receptor subtype EP-2 is not involved in the induction of non-pregnant guinea pig uterine contractions associated with terminal pregnancy. Prostaglandins, leukotrienes, and essential fatty acids 20041201
A novel, non-prostanoid EP2 receptor-selective prostaglandin E2 agonist stimulates local bone formation and enhances fracture healing. Journal of bone and mineral research : the official journal of the American Society for Bone and Mineral Research 20031101
An EP2 receptor-selective prostaglandin E2 agonist induces bone healing. Proceedings of the National Academy of Sciences of the United States of America 20030527
Properties