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GR-95030X

CAT: 0013-GTR19208347-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208347-01Size:25 mg
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Description
GR-95030X is a novel small molecule inhibitor of HMG-CoA reductase, the rate-limiting enzyme in cholesterol biosynthesis. It is a valuable research tool for studying lipid metabolism and associated diseases in both cellular and animal models.
CAS Number
129443-92-1
Smiles
C (=C/[C@H] (C[C@H] (CC (O) =O) O) O) \N1C (=C (N=C1C (C) C) C2=CC=C (F) C=C2) C3=CC=C (F) C=C3
Molecular Formula
C25H26F2N2O4
Molecular Weight
456.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GR 95030X

structure given in first source

CAS Number129443-92-1
PubChem CID6449152
IUPAC Name(E)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
Molecular FormulaC25H26F2N2O4
Molecular Weight456.5
XLogP3.5
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity648
SMILES
CC(C)C1=NC(=C(N1/C=C/C(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/b12-11+
InChIKey
GQOQQDINYJTQDY-VAWYXSNFSA-N
Chemical Structure
2D Structure
2D structure of GR 95030X
CAS: 129443-92-1
CID: 6449152
Formula: C25H26F2N2O4
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass456.18606364
Monoisotopic Mass456.18606364
Topological Polar Surface Area95.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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