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MDM2/XIAP-IN-3

CAT: 0013-GTR19219027-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219027-01Size:25 mg
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Description
MDM2/XIAP-IN-3 is a dual-targeting small molecule that degrades MDM2 and XIAP, leading to p53 stabilization. This compound induces apoptosis and inhibits proliferation in cancer cell lines, making it a useful chemical probe for studying p53-dependent pathways and apoptosis regulation in oncology research.
CAS Number
2925583-17-9
Field of Research
Cell Biology
Smiles
S (NC1=CC (C (C) =O) =CC=C1) (=O) (=O) C=2C=C3C4C (C (NC3=CC2) C5=CC=C (C (C (C) C) =O) C=C5) CCO4
Molecular Formula
C29H30N2O5S
Molecular Weight
518.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mdm2/xiap-IN-3
CAS Number2925583-17-9
PubChem CID156155793
IUPAC NameN-(3-acetylphenyl)-4-[4-(2-methylpropanoyl)phenyl]-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
Molecular FormulaC29H30N2O5S
Molecular Weight518.6
XLogP4.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity938
SMILES
CC(C)C(=O)C1=CC=C(C=C1)C2C3CCOC3C4=C(N2)C=CC(=C4)S(=O)(=O)NC5=CC=CC(=C5)C(=O)C
InChI
InChI=1S/C29H30N2O5S/c1-17(2)28(33)20-9-7-19(8-10-20)27-24-13-14-36-29(24)25-16-23(11-12-26(25)30-27)37(34,35)31-22-6-4-5-21(15-22)18(3)32/h4-12,15-17,24,27,29-31H,13-14H2,1-3H3
InChIKey
UGXBYZCGWVTKDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mdm2/xiap-IN-3
CAS: 2925583-17-9
CID: 156155793
Formula: C29H30N2O5S
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.6
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass518.18754324
Monoisotopic Mass518.18754324
Topological Polar Surface Area110 Ų
Heavy Atom Count37
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5821145MDM2/XIAP-IN-3
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