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ADH-6

CAT: 0804-HY-145785Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-145785Size:1 Each
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Description
ADH-6 is a tripyridylamide compound. ADH-6 abrogates self-assembly of the aggregation-nucleating subdomain of mutant p53 DBD. ADH-6 targets and dissociates mutant p53 aggregates in human cancer cells, which restores p53's transcriptional activity, leading to cell cycle arrest and apoptosis. ADH-6 has the potential for the research of cancer diseases[1].
CAS Number
2227429-65-2
UNSPSC
12352005
Target
Apoptosis; MDM-2/p53
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/adh-6.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=NC(OCCCN)=C(NC(C2=NC(OCCCN)=C(NC(C3=NC(OCCCC)=C([N+]([O-])=O)C=C3)=O)C=C2)=O)C=C1)OC
Molecular Formula
C29H36N8O9
Molecular Weight
640.64
References & Citations
[1]Palanikumar L, et al. Protein mimetic amyloid inhibitor potently abrogates cancer-associated mutant p53 aggregation and restores tumor suppressor function. Nat Commun. 2021;12 (1) :3962.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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