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PK11000

CAT: 0804-HY-U00447-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00447-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PK11000 is an alkylating agent, and stabilizes the DNA-binding domain of both WT and mutant p53 proteins by covalent cysteine modification without compromising DNA binding. PK11000 has anti-tumor activities[1].
CAS Number
38275-34-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
DNA Alkylator/Crosslinker; MDM-2/p53
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/PK11007.html
Concentration
10mM
Purity
99.56
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 25 mg/mL (ultrasonic)
Smiles
O=C(C1=NC(S(=O)(C)=O)=NC=C1Cl)O
Molecular Formula
C6H5ClN2O4S
Molecular Weight
236.63
Precautions
H302, H315, H319, H335
References & Citations
[1]Bauer MR, et al. 2-Sulfonylpyrimidines: Mild alkylating agents with anticancer activity toward p53-compromised cells. Proc Natl Acad Sci U S A. 2016 Sep 6;113 (36) :E5271-80.|[2]Naoise C Synnott, et al. Mutant p53 as a therapeutic target for the treatment of triple-negative breast cancer: Preclinical investigation with the anti-p53 drug, PK11007. Cancer Lett. 2018 Feb 1;414:99-106.
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

5-Chloro-2-methanesulfonylpyrimidine-4-carboxylic acid
CAS Number38275-34-2
PubChem CID1241459
IUPAC Name5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid
Molecular FormulaC6H5ClN2O4S
Molecular Weight236.63
XLogP0.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity325
SMILES
CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)Cl
InChI
InChI=1S/C6H5ClN2O4S/c1-14(12,13)6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
InChIKey
WZUPWJVRWIVWEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-methanesulfonylpyrimidine-4-carboxylic acid
CAS: 38275-34-2
CID: 1241459
Formula: C6H5ClN2O4S
MW: 236.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.63
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass235.9658555
Monoisotopic Mass235.9658555
Topological Polar Surface Area106 Ų
Heavy Atom Count14
Formal Charge0
Complexity325
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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