5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic Acid - CAS 38275-34-2
Catalog: |
BB023605 |
Product Name: |
5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic Acid |
CAS: |
38275-34-2 |
Synonyms: |
5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid; 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid |
IUPAC Name: | 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid |
Description: | PK11007 is an antitumor agent that targets and stabilizes wild type and mutant p53 via selective alkylation of two surface-exposed cysteines without compromising its DNA binding activity. It blocks cell migration and induces apoptosis in various cancer cell lines. |
Molecular Weight: | 236.63 |
Molecular Formula: | C6H5ClN2O4S |
Canonical 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) |
InChI Key: | WZUPWJVRWIVWEF-UHFFFAOYSA-N |
LogP: | 1.31250 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2017029498-A1 | 2-sulfonylpyrimidines | 20150818 |
BR-112014024203-B1 | 5-aminopyrimidine derivatives and their use to control unwanted plant growth | 20120329 |
EP-2831050-A1 | 5-aminopyrimidine derivatives and use thereof for combating undesired plant growth | 20120329 |
EP-2831050-B1 | 5-amino pyrimidine derivatives and use thereof for combating undesired plant growth | 20120329 |
JP-2015516383-A | 5-Aminopyrimidine derivatives and their use to control unwanted plant growth | 20120329 |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.9658555 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.9658555 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 106 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Pyrimidines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS