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CP-31398 (dihydrochloride)

CAT: 0804-HY-18343A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18343A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CP-31398 dihydrochloride stabilizes the active conformation of p53 and promotes p53 activity in cancer cell lines with mutant or wild-type p53[1][2][3].
CAS Number
1217195-61-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MDM-2/p53
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cp-31398-dihydrochloride.html
Purity
99.63
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CN(C)CCCNC1=C2C=CC=CC2=NC(/C=C/C3=CC=C(OC)C=C3)=N1.[H]Cl.[H]Cl
Molecular Formula
C22H28Cl2N4O
Molecular Weight
435.39
Precautions
H302, H315, H319, H335
References & Citations
[1]B A Foster, et al. Pharmacological rescue of mutant p53 conformation and function. Science. 1999 Dec 24;286 (5449) :2507-10.|[2]Rishu Takimoto, et al. The Mutant p53-Conformation Modifying Drug, CP-31398, Can Induce Apoptosis of Human Cancer Cells and Can Stabilize Wild-Type p53 Protein. Cancer Biol Ther. Jan-Feb 2002;1 (1) :47-55.|[3]J Wischhusen, et al. CP-31398, a novel p53-stabilizing agent, induces p53-dependent and p53-independent glioma cell death. Oncogene. 2003 Nov 13;22 (51) :8233-45.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CP 31398 Dihydrochloride
CAS Number1217195-61-3
PubChem CID56972205
IUPAC NameN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
Molecular FormulaC22H28Cl2N4O
Molecular Weight435.4
Topological Polar Surface Area50.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity448
SMILES
CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC.Cl.Cl
InChI
InChI=1S/C22H26N4O.2ClH/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17;;/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25);2*1H/b14-11+;;
InChIKey
WWIFDJIOGCGSBS-IVKCLRODSA-N
Chemical Structure
2D Structure
2D structure of CP 31398 Dihydrochloride
CAS: 1217195-61-3
CID: 56972205
Formula: C22H28Cl2N4O
MW: 435.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass434.1640169
Monoisotopic Mass434.1640169
Topological Polar Surface Area50.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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