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AD-5584

CAT: 0013-GTR19235706-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235706-01Size:25 mg
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Description
AD-5584 is a brain-penetrant inhibitor of ACSS2 that exhibits antitumor activity. It reduces lipid accumulation and colony formation while inducing cell death in vitro, supporting its investigation in oncology research, including studies on tumor metabolism and survival.
CAS Number
2306525-79-9
Field of Research
Metabolism Research
Smiles
O=C (N (C) CC1=NC=2C=CC (Cl) =CC2N1) C (C3=CC=C (F) C=C3) N4CCCCC4
Molecular Formula
C22H24ClFN4O
Molecular Weight
414.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 132415453
CAS Number2306525-79-9
PubChem CID132415453
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-fluorophenyl)-N-methyl-2-piperidin-1-ylacetamide
Molecular FormulaC22H24ClFN4O
Molecular Weight414.9
XLogP4.2
Topological Polar Surface Area52.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity553
SMILES
CN(CC1=NC2=C(N1)C=C(C=C2)Cl)C(=O)C(C3=CC=C(C=C3)F)N4CCCCC4
InChI
InChI=1S/C22H24ClFN4O/c1-27(14-20-25-18-10-7-16(23)13-19(18)26-20)22(29)21(28-11-3-2-4-12-28)15-5-8-17(24)9-6-15/h5-10,13,21H,2-4,11-12,14H2,1H3,(H,25,26)
InChIKey
PYZYZGZTKGCTOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 132415453
CAS: 2306525-79-9
CID: 132415453
Formula: C22H24ClFN4O
MW: 414.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.9
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass414.1622673
Monoisotopic Mass414.1622673
Topological Polar Surface Area52.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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