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CAT: 1410-M15293Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M15293Size:1 Each
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Description
A novel small molecule that restores p53 function in mutant p53-expressing colorectal cancer cells without toxicity to normal human fibroblasts.
CAS Number
61034-15-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
271.28
Molecular Formula
C13H13N5O2
Notes
Research use only, not for human use.
Receptor
MDM2-p53

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...
View on PubChemRaw 3D data
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

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