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Rpr-260243

CAS No.:
668463-35-2
Catalog Number:
AG00FC1R
Molecular Formula:
C28H25F3N2O4
Molecular Weight:
510.5043
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$423
- +
10mg
99%
1 week
United States
$673
- +
50mg
99%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG00FC1R
Chemical Name:
Rpr-260243
CAS Number:
668463-35-2
Molecular Formula:
C28H25F3N2O4
Molecular Weight:
510.5043
MDL Number:
MFCD23136021
IUPAC Name:
(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C28H25F3N2O4/c1-37-20-5-6-25-22(15-20)21(8-10-32-25)26(34)7-4-17-9-12-33(16-23(17)28(35)36)11-2-3-18-13-19(29)14-24(30)27(18)31/h5-6,8,10,13-15,17,23H,4,7,9,11-12,16H2,1H3,(H,35,36)/t17-,23+/m1/s1
InChI Key:
VWNMWKSURFWKAL-HXOBKFHXSA-N
SMILES:
COc1ccc2c(c1)c(ccn2)C(=O)CC[C@@H]1CCN(C[C@@H]1C(=O)O)CC#Cc1cc(F)cc(c1F)F
Properties
Complexity:
876  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
510.177g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
510.513g/mol
Monoisotopic Mass:
510.177g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Molecular determinants of human ether-à-go-go-related gene 1 (hERG1) K+ channel activation by NS1643. Molecular pharmacology 20110101
Differential effects of Kv11.1 activators on Kv11.1a, Kv11.1b and Kv11.1a/Kv11.1b channels. British journal of pharmacology 20101001
A single amino acid difference between ether-a-go-go- related gene channel subtypes determines differential sensitivity to a small molecule activator. Molecular pharmacology 20080401
Novel potent human ether-a-go-go-related gene (hERG) potassium channel enhancers and their in vitro antiarrhythmic activity. Molecular pharmacology 20050901
Discovery of a small molecule activator of the human ether-a-go-go-related gene (HERG) cardiac K+ channel. Molecular pharmacology 20050301
Activators of cation channels: potential in treatment of channelopathies. Molecular pharmacology 20050301
Properties