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ADH-6

CAT: 0931-T73533-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T73533-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2227429-65-2
Target
Others, MDM-2/p53, Apoptosis
Related Pathways
Others, Apoptosis
Bioactivity
ADH-6, a tripyridylamide compound, impedes the self-assembly of the aggregation-nucleating subdomain of mutant p53 DNA-binding domain (DBD) . By targeting and dissociating mutant p53 aggregates in human cancer cells, ADH-6 reinstates p53's transcriptional activity, culminating in cell cycle arrest and apoptosis, thereby holding potential for cancer 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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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