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AC-119

CAT: 0013-GTR19195962-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195962-03Size:100 mg
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Description
AC-119, a metabolite of bamifylline found in human plasma, is a research compound of interest for its selective pro-apoptotic activity. It has demonstrated the ability to induce programmed cell death in various cancer cell lines in vitro while showing negligible effects on healthy human cells, highlighting its potential for oncology research.
CAS Number
80296-67-9
Smiles
C (CNCC) N1C2=C (N=C1CC3=CC=CC=C3) N (C) C (=O) N (C) C2=O
Molecular Formula
C18H23N5O2
Molecular Weight
341.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AC 119

bamifylline metabolite in human plasma; structure given in first source

CAS Number80296-67-9
PubChem CID133436
IUPAC Name8-benzyl-7-[2-(ethylamino)ethyl]-1,3-dimethylpurine-2,6-dione
Molecular FormulaC18H23N5O2
Molecular Weight341.4
XLogP1.4
Topological Polar Surface Area70.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity494
SMILES
CCNCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3
InChI
InChI=1S/C18H23N5O2/c1-4-19-10-11-23-14(12-13-8-6-5-7-9-13)20-16-15(23)17(24)22(3)18(25)21(16)2/h5-9,19H,4,10-12H2,1-3H3
InChIKey
DWVLBZMSEOBQDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AC 119
CAS: 80296-67-9
CID: 133436
Formula: C18H23N5O2
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass341.18517499
Monoisotopic Mass341.18517499
Topological Polar Surface Area70.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity494
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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