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SCH 529074

CAT: 0607-B5544-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5544-10Size:10 mg
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Description
restores mutant p53 activity
CAS Number
922150-11-6
Product Name Alternative
(E)-N1-(2-((4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)methyl)quinazolin-4(3H)-ylidene)-N3,N3-dimethylpropane-1,3-diamine
Form
Cream solid
Solubility
Soluble in DMSO
Smiles
CN(CCC/N=C1C2=CC=CC=C2N=C(N\1)CN3CCN(C(C4=CC=C(Cl)C=C4)C5=CC=C(Cl)C=C5)CC3)C
Molecular Formula
C31H36Cl2N6
Molecular Weight
563.56
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N'-(2-{4-[bis-(4-chlorophenyl)methyl]piperazin-1-ylmethyl}quinazolin-4-yl)-N,N-dimethylpropane-1,3-diamine

SCH529074 is a potent and orally active p53 activator. SCH529074 binds specifically and conformation-dependently to p53 DBD ( DNA binding domain) with a Ki of 1-2 uM in a saturable manner. SCH529074 restores mutant p53 function and interrupts HDM2-mediated ubiquitination of wild Type p53. SCH529074 can be used for the study of non-small-cell lung carcinoma (NSCLC). (MedChemExpress).

CAS Number922150-11-6
PubChem CID12001922
IUPAC NameN-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
Molecular FormulaC31H36Cl2N6
Molecular Weight563.6
XLogP6.4
Topological Polar Surface Area47.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity681
SMILES
CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C31H36Cl2N6/c1-37(2)17-5-16-34-31-27-6-3-4-7-28(27)35-29(36-31)22-38-18-20-39(21-19-38)30(23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h3-4,6-15,30H,5,16-22H2,1-2H3,(H,34,35,36)
InChIKey
NCAJLQDPTZBGJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-(2-{4-[bis-(4-chlorophenyl)methyl]piperazin-1-ylmethyl}quinazolin-4-yl)-N,N-dimethylpropane-1,3-diamine
CAS: 922150-11-6
CID: 12001922
Formula: C31H36Cl2N6
MW: 563.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.6
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass562.2378506
Monoisotopic Mass562.2378506
Topological Polar Surface Area47.5 Ų
Heavy Atom Count39
Formal Charge0
Complexity681
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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