Products for Research Use Only

COP1-ATGL modulator 1

CAT: 0013-GTR19235635-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235635-01Size:1 mg
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Description
COP1-ATGL modulator 1 (86) is a potent, orally bioavailable small molecule that targets the COP1-ATGL axis. It elevates ATGL levels, reduces its ubiquitination, and inhibits COP1 autoubiquitination, effectively diminishing hepatic lipid accumulation at nanomolar concentrations in vitro. This makes it a valuable research tool for studying NAFLD/NASH and metabolic disorders.
CAS Number
2946701-09-1
Field of Research
Metabolism Research
Purity
99.98% (May vary between batches)
Smiles
O=C (NC1=CC=CC (=C1) C (=O) C) NC2=CC=C3C (=C2) C (=O) N (C (=O) N3CCN4CCCCC4) CCOC
Molecular Formula
C27H33N5O5
Molecular Weight
507.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

COP1-ATGL modulator 1
CAS Number2946701-09-1
PubChem CID168952850
IUPAC Name1-(3-acetylphenyl)-3-[3-(2-methoxyethyl)-2,4-dioxo-1-(2-piperidin-1-ylethyl)quinazolin-6-yl]urea
Molecular FormulaC27H33N5O5
Molecular Weight507.6
XLogP1.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity832
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)N(C(=O)N(C3=O)CCOC)CCN4CCCCC4
InChI
InChI=1S/C27H33N5O5/c1-19(33)20-7-6-8-21(17-20)28-26(35)29-22-9-10-24-23(18-22)25(34)32(15-16-37-2)27(36)31(24)14-13-30-11-4-3-5-12-30/h6-10,17-18H,3-5,11-16H2,1-2H3,(H2,28,29,35)
InChIKey
GPYDOCYVXSAKDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of COP1-ATGL modulator 1
CAS: 2946701-09-1
CID: 168952850
Formula: C27H33N5O5
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass507.24816917
Monoisotopic Mass507.24816917
Topological Polar Surface Area111 Ų
Heavy Atom Count37
Formal Charge0
Complexity832
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