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AG 045572

CAT: 1410-M33779-01Size: 1 EachDry Ice: NoHazardous: No
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Description
AG 045572 is a potent GnRH receptor antagonist that inhibits the GnRH receptor in humans and rats with Ki values of 6.0 nM and 3.8 nM, respectively.AG 045572 is metabolized by CYP3A and inhibits testosterone.
CAS Number
263847-55-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
491.62
Molecular Formula
C30H37NO5
Notes
Research use only, not for human use.
Receptor
P450 | GNRH Receptor

Chemical Information

5-((3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-N-(2,4,6-trimethoxyphenyl)-2-furamide

structure in first source

CAS Number263847-55-8
PubChem CID9957278
IUPAC Name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
Molecular FormulaC30H37NO5
Molecular Weight491.6
XLogP7.5
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity740
SMILES
CC1=CC2=C(C=C1CC3=CC=C(O3)C(=O)NC4=C(C=C(C=C4OC)OC)OC)C(CCC2(C)C)(C)C
InChI
InChI=1S/C30H37NO5/c1-18-13-22-23(30(4,5)12-11-29(22,2)3)15-19(18)14-20-9-10-24(36-20)28(32)31-27-25(34-7)16-21(33-6)17-26(27)35-8/h9-10,13,15-17H,11-12,14H2,1-8H3,(H,31,32)
InChIKey
IPEMCIBPDYCJLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-((3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-N-(2,4,6-trimethoxyphenyl)-2-furamide
CAS: 263847-55-8
CID: 9957278
Formula: C30H37NO5
MW: 491.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight491.6
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass491.26717328
Monoisotopic Mass491.26717328
Topological Polar Surface Area69.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes