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ADH-6

CAT: 0013-GTR19212023-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212023-03Size:100 mg
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Description
ADH-6 is a tripyridylamide compound that targets and dissociates mutant p53 aggregates, restoring its tumor-suppressor function. This activity, demonstrated in vitro, induces cell cycle arrest and apoptosis, making it a valuable chemical probe for cancer research, particularly in studying p53 aggregation and reactivation strategies.
CAS Number
2227429-65-2
Field of Research
Cell Biology, Metabolism Research
Smiles
N (C (=O) C=1N=C (OCCCC) C (N (=O) =O) =CC1) C2=C (OCCCN) N=C (C (NC3=C (OCCCN) N=C (C (OC) =O) C=C3) =O) C=C2
Molecular Formula
C29H36N8O9
Molecular Weight
640.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-[(6-butoxy-5-nitropyridine-2-carbonyl)amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate
CAS Number2227429-65-2
PubChem CID135131858
IUPAC Namemethyl 6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-[(6-butoxy-5-nitropyridine-2-carbonyl)amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate
Molecular FormulaC29H36N8O9
Molecular Weight640.6
XLogP2.1
Topological Polar Surface Area249
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Heavy Atom Count46
Formal Charge0
Complexity973
SMILES
CCCCOC1=C(C=CC(=N1)C(=O)NC2=C(N=C(C=C2)C(=O)NC3=C(N=C(C=C3)C(=O)OC)OCCCN)OCCCN)[N+](=O)[O-]
InChI
InChI=1S/C29H36N8O9/c1-3-4-15-46-28-23(37(41)42)12-11-19(35-28)25(39)32-20-8-7-18(34-26(20)44-16-5-13-30)24(38)33-21-9-10-22(29(40)43-2)36-27(21)45-17-6-14-31/h7-12H,3-6,13-17,30-31H2,1-2H3,(H,32,39)(H,33,38)
InChIKey
KDVRSKDEDDWURT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-[(6-butoxy-5-nitropyridine-2-carbonyl)amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate
CAS: 2227429-65-2
CID: 135131858
Formula: C29H36N8O9
MW: 640.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight640.6
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Exact Mass640.26052476
Monoisotopic Mass640.26052476
Topological Polar Surface Area249 Ų
Heavy Atom Count46
Formal Charge0
Complexity973
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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