1,3-Dihydrothiopheno[3,2-d]pyrimidine-2,4-dione - CAS 16233-51-5
Catalog: |
BB011859 |
Product Name: |
1,3-Dihydrothiopheno[3,2-d]pyrimidine-2,4-dione |
CAS: |
16233-51-5 |
Synonyms: |
1H-thieno[3,2-d]pyrimidine-2,4-dione; 1H-thieno[3,2-d]pyrimidine-2,4-dione |
IUPAC Name: | 1H-thieno[3,2-d]pyrimidine-2,4-dione |
Description: | 1,3-Dihydrothiopheno[3,2-d]pyrimidine-2,4-dione (CAS# 16233-51-5) is an analog of thieno[3,4-d]pyrimidine and can serve as an inhibitor of dipeptidyl peptidase IV, PKD (serine/threonine kinases) as well as take part in the synthesis of antagonists of the humane adenosine A2B receptor. |
Molecular Weight: | 168.17 |
Molecular Formula: | C6H4N2O2S |
Canonical SMILES: | C1=CSC2=C1NC(=O)NC2=O |
InChI: | InChI=1S/C6H4N2O2S/c9-5-4-3(1-2-11-4)7-6(10)8-5/h1-2H,(H2,7,8,9,10) |
InChI Key: | QAFVXBQPQCSSLI-UHFFFAOYSA-N |
Boiling Point: | 274.804 °C at 760 mmHg |
Density: | 1.662 g/cm3 |
MDL: | MFCD09909655 |
LogP: | 1.10250 |
Publication Number | Title | Priority Date |
WO-2021118929-A1 | Compounds for treating familial dysautonomia | 20191212 |
US-2020261455-A1 | Inhibitors of mutant family tyrosine-kinases | 20171018 |
US-2016257696-A1 | Thieno- and pyrrolopyrimidine analogues as anticancer agents and methods of use thereof | 20150302 |
US-9434742-B1 | Thieno- and pyrrolopyrimidine analogues as anticancer agents and methods of use thereof | 20150302 |
US-2015336982-A1 | Five-And-Six-Membered Heterocyclic Compound, And Preparation Method, Pharmaceutical Composition And Use Thereof | 20130118 |
PMID | Publication Date | Title | Journal |
17034124 | 20061019 | Determination of the binding mode of thienopyrimidinedione antagonists to the human gonadotropin releasing hormone receptor using structure-activity relationships, site-directed mutagenesis, and homology modeling | Journal of medicinal chemistry |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.99934855 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.99934855 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 86.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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