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CB-002

CAT: 0013-GTR19154144Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154144Size:10 mg
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Description
CB-002 is a novel small molecule that restores p53 function in mutant p53-expressing colorectal cancer cells without toxicity to normal human fibroblasts; increases expression of endogenous p53 target genes NOXA, DR5, and p21 and cell death; decreases the stability of mutant p53 in RXF393 cancer cells and an exogenously expressed R175H p53 mutant in HCT116 p53-null cells.
CAS Number
61034-15-9
Purity
>98%
Smiles
N1C2=C (N (C) C (=O) N (C) C2=O) N=C1NC1=CC=CC=C1
Molecular Formula
C13H13N5O2
Molecular Weight
271.28
Notes
For research use only.

Chemical Information

8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

8-anilino-1,3-dimethyl-7H-purine-2,6-dione is an oxopurine.

CAS Number61034-15-9
PubChem CID378526
IUPAC Name8-anilino-1,3-dimethyl-7H-purine-2,6-dione
Molecular FormulaC13H13N5O2
Molecular Weight271.27
XLogP1.5
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity410
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3
InChI
InChI=1S/C13H13N5O2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,14,15,16)
InChIKey
RXCJTNUAETXUOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS: 61034-15-9
CID: 378526
Formula: C13H13N5O2
MW: 271.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight271.27
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass271.10692467
Monoisotopic Mass271.10692467
Topological Polar Surface Area81.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity410
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