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AD-8007

CAT: 0957-E1930-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1930-01Size:5 mg
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Description
AD-8007 is a selective and brain-penetrant inhibitor of acetyl CoA synthase 2 (ACSS2) . AD-8007 significantly reduces lipid storage, cell colony formation, acetyl-CoA levels and cell survival in vitro models, and increase tumor cell death, tumor burden and increases survival in in-vivo models. AD-8007 exhibits anti-cancer activity.
CAS Number
1497439-74-3
Target
ACSS2
Activity
Metabolism
Molecular Formula
C22H26N2O

Chemical Information

(2S)-2-amino-2-cyclopropyl-1-(3,3-diphenylpiperidin-1-yl)ethanone
CAS Number1497439-74-3
PubChem CID72937507
IUPAC Name(2S)-2-amino-2-cyclopropyl-1-(3,3-diphenylpiperidin-1-yl)ethanone
Molecular FormulaC22H26N2O
Molecular Weight334.5
XLogP3.5
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity443
SMILES
C1CC(CN(C1)C(=O)[C@H](C2CC2)N)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O/c23-20(17-12-13-17)21(25)24-15-7-14-22(16-24,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,17,20H,7,12-16,23H2/t20-/m0/s1
InChIKey
RVDAHWSYHUHTAL-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-amino-2-cyclopropyl-1-(3,3-diphenylpiperidin-1-yl)ethanone
CAS: 1497439-74-3
CID: 72937507
Formula: C22H26N2O
MW: 334.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass334.204513457
Monoisotopic Mass334.204513457
Topological Polar Surface Area46.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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