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ONC201

CAT: 0607-A8724-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A8724-50Size:50 mg
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Description
activates p53-independent apoptosis
CAS Number
1616632-77-9
Product Name Alternative
7-benzyl-4-(2-methylbenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one
Field of Research
Apoptosis p53
Purity
0.9943
Form
A crystalline solid
Solubility
insoluble in H2O; ≥10 mg/mL in EtOH with ultrasonic; ≥16 mg/mL in DMSO
Smiles
CC1=CC=CC=C1CN(C2=NCCN32)C(C(C4)=C3CCN4CC5=CC=CC=C5)=O
Molecular Formula
C24H26N4O
Molecular Weight
386.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Dordaviprone

Dordaviprone is an organic heterotricyclic compound that is 2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one substituted by 2-methylbenzyl and benzyl groups at positions 4 and 7, respectively. It is a selective antagonist of the dopamine receptor D2 and an allosteric agonist of mitochondrial protease caseinolytic protease P. It has a role as a dopamine receptor D2 antagonist, an antineoplastic agent and an apoptosis inducer. It is a member of benzenes, an organic heterotricyclic compound and a member of toluenes.

CAS Number1616632-77-9
PubChem CID73777259
IUPAC Name11-benzyl-7-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
Molecular FormulaC24H26N4O
Molecular Weight386.5
XLogP2.3
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity693
SMILES
CC1=CC=CC=C1CN2C(=O)C3=C(CCN(C3)CC4=CC=CC=C4)N5C2=NCC5
InChI
InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3
InChIKey
VLULRUCCHYVXOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dordaviprone
CAS: 1616632-77-9
CID: 73777259
Formula: C24H26N4O
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass386.21066147
Monoisotopic Mass386.21066147
Topological Polar Surface Area39.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity693
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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