sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Ly2456302

Ly2456302

CAS No.:
1174130-61-0
Catalog Number:
AG00965P
Molecular Formula:
C26H27FN2O2
Molecular Weight:
418.5032
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$182
- +
5mg
99%
1 week
United States
$307
- +
10mg
99%
1 week
United States
$446
- +
20mg
99%
1 week
United States
$682
- +
50mg
99%
1 week
United States
$1237
- +
Product Description
Catalog Number:
AG00965P
Chemical Name:
Ly2456302
CAS Number:
1174130-61-0
Molecular Formula:
C26H27FN2O2
Molecular Weight:
418.5032
MDL Number:
MFCD22572355
IUPAC Name:
4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
InChI:
InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1
InChI Key:
ZHPMYDSXGRRERG-DEOSSOPVSA-N
SMILES:
Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(cc1)Oc1ccc(cc1F)C(=O)N
UNII:
DE4G8X55F5
Properties
Complexity:
584  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
418.206g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
418.512g/mol
Monoisotopic Mass:
418.206g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
LY2456302 is a novel, potent, orally-bioavailable small molecule kappa-selective antagonist with activity in animal models predictive of efficacy in mood and addictive disorders. Neuropharmacology 20140201
Discovery of aminobenzyloxyarylamides as κ opioid receptor selective antagonists: application to preclinical development of a κ opioid receptor antagonist receptor occupancy tracer. Journal of medicinal chemistry 20111208
Properties