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GSK2945

CAT: 0013-GTR19205707-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205707-02Size:50 mg
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Description
GSK2945 is a potent and selective antagonist of Rev-erbα/REV-ERBα, with EC50 values of 21.5 μM and 20.8 μM respectively. It promotes cholesterol metabolism by upregulating CYP7A1, making it a valuable tool for studying circadian metabolism and liver function in biochemical and pharmacological research.
CAS Number
1438071-12-5
Field of Research
Metabolism Research
Smiles
N (CC=1SC (N (=O) =O) =CC1) (CC2=C (C) C=C (Cl) C=C2) CC3=CC=C (Cl) C=C3
Molecular Formula
C20H18Cl2N2O2S
Molecular Weight
421.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(4-chloro-2-methylphenyl)methyl]-1-(4-chlorophenyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
CAS Number1438071-12-5
PubChem CID71682479
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-1-(4-chlorophenyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.3
XLogP6.2
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity485
SMILES
CC1=C(C=CC(=C1)Cl)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C20H18Cl2N2O2S/c1-14-10-18(22)7-4-16(14)12-23(11-15-2-5-17(21)6-3-15)13-19-8-9-20(27-19)24(25)26/h2-10H,11-13H2,1H3
InChIKey
NXCSEAQOKPSNJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(4-chloro-2-methylphenyl)methyl]-1-(4-chlorophenyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
CAS: 1438071-12-5
CID: 71682479
Formula: C20H18Cl2N2O2S
MW: 421.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.3
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass420.0466044
Monoisotopic Mass420.0466044
Topological Polar Surface Area77.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity485
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

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