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P53-MDM2-IN-2

CAT: 0804-HY-116052-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-116052-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
P53-MDM2-IN-2 (Compound 5q) is an orally active p53-MDM2 inhibitor with a Ki value of 0.25 μM. p53-MDM2-IN-2 exerts antitumor activity by inhibiting NF-κB pathway[1].
CAS Number
1542066-69-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
MDM-2/p53; NF-κB
Type
Reference compound
Related Pathways
Apoptosis; NF-κB
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/p53-mdm2-in-2.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(C(N1CCCN3C=NC=C3)C4=CC=C(C=C4)Br)C(C5=CC=CC=C5)=NN2CC6=CC=CC=C6
Molecular Formula
C30H26BrN5O
Molecular Weight
552.46
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Zhuang C, et al. Double-edged swords as cancer therapeutics: novel, orally active, small molecules simultaneously inhibit p53-MDM2 interaction and the NF-κB pathway. J Med Chem. 2014 Feb 13;57 (3) :567-77.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-Benzyl-4-(4-bromophenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-4H-pyrrolo[3,4-c]pyrazol-6-one
CAS Number1542066-69-2
PubChem CID78210009
IUPAC Name1-benzyl-4-(4-bromophenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
Molecular FormulaC30H26BrN5O
Molecular Weight552.5
XLogP5.3
Topological Polar Surface Area56
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity748
SMILES
C1=CC=C(C=C1)CN2C3=C(C(N(C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)Br)C(=N2)C6=CC=CC=C6
InChI
InChI=1S/C30H26BrN5O/c31-25-14-12-24(13-15-25)28-26-27(23-10-5-2-6-11-23)33-36(20-22-8-3-1-4-9-22)29(26)30(37)35(28)18-7-17-34-19-16-32-21-34/h1-6,8-16,19,21,28H,7,17-18,20H2
InChIKey
HZXBRCFEDOCBBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzyl-4-(4-bromophenyl)-5-(3-imidazol-1-ylpropyl)-3-phenyl-4H-pyrrolo[3,4-c]pyrazol-6-one
CAS: 1542066-69-2
CID: 78210009
Formula: C30H26BrN5O
MW: 552.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.5
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass551.13207
Monoisotopic Mass551.13207
Topological Polar Surface Area56 Ų
Heavy Atom Count37
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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