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SJ-172550

CAT: 0804-HY-16664-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16664-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SJ-172550 is a small molecule inhibitor of MDMX; competes for the wild type p53 peptide binding to MDMX with an EC50 of 5 μM.
CAS Number
431979-47-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
E1/E2/E3 Enzyme; MDM-2/p53
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/SJ-172550.html
Purity
99.95
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
O=C(/C1=C/C2=CC(Cl)=C(OCC(OC)=O)C(OCC)=C2)N(N=C1C)C3=CC=CC=C3
Molecular Formula
C22H21ClN2O5
Molecular Weight
428.87
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Reed D, et al. Identification and characterization of the first small molecule inhibitor of MDMX. J Biol Chem. 2010 Apr 2;285 (14) :10786-96.|[2]Bista M, et al. On the mechanism of action of SJ-172550 in inhibiting the interaction of MDM4 and p53. PLoS One. 2012;7 (6) :e37518.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SJ-17255
CAS Number431979-47-4
PubChem CID1317464
IUPAC Namemethyl 2-[2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate
Molecular FormulaC22H21ClN2O5
Molecular Weight428.9
XLogP4.3
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity689
SMILES
CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC(=O)OC
InChI
InChI=1S/C22H21ClN2O5/c1-4-29-19-12-15(11-18(23)21(19)30-13-20(26)28-3)10-17-14(2)24-25(22(17)27)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3/b17-10+
InChIKey
RKKFQJXGAQWHBZ-LICLKQGHSA-N
Chemical Structure
2D Structure
2D structure of SJ-17255
CAS: 431979-47-4
CID: 1317464
Formula: C22H21ClN2O5
MW: 428.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.9
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass428.1138995
Monoisotopic Mass428.1138995
Topological Polar Surface Area77.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A4486-10SJ 172550
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A15352-100SJ 172550 100mg
A15352-5SJ 172550 5mg
A15352-2SJ 172550 2mg
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A15352-25SJ 172550 25mg

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