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Glucocorticoid receptor agonist

CAS No.:
1245526-82-2
Catalog Number:
AG009CBR
Molecular Formula:
C20H20F4N2O2
Molecular Weight:
396.3786
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$589
- +
10mg
98%
1 week
United States
$1065
- +
Product Description
Catalog Number:
AG009CBR
Chemical Name:
Glucocorticoid receptor agonist
CAS Number:
1245526-82-2
Molecular Formula:
C20H20F4N2O2
Molecular Weight:
396.3786
MDL Number:
MFCD18642633
IUPAC Name:
4-fluoro-2-[(4R)-5,5,5-trifluoro-4-hydroxy-2-methyl-4-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-yl]phenol
InChI:
InChI=1S/C20H20F4N2O2/c1-18(2,15-8-13(21)3-4-17(15)27)11-19(28,20(22,23)24)9-14-7-12-5-6-25-10-16(12)26-14/h3-8,10,26-28H,9,11H2,1-2H3/t19-/m0/s1
InChI Key:
JFUAWXPBHXKZGA-IBGZPJMESA-N
SMILES:
Fc1ccc(c(c1)C(C[C@](C(F)(F)F)(Cc1cc2c([nH]1)cncc2)O)(C)C)O
Properties
Complexity:
545  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
396.146g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
396.386g/mol
Monoisotopic Mass:
396.146g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Identification of highly efficacious glucocorticoid receptor agonists with a potential for reduced clinical bone side effects. Journal of medicinal chemistry 20140227
Nonsteroidal dissociated glucocorticoid agonists containing azaindoles as steroid A-ring mimetics. Journal of medicinal chemistry 20100923
Properties