5-Furfurylidene-2-thiobarbituric Acid - CAS 27430-18-8
Catalog: |
BB056167 |
Product Name: |
5-Furfurylidene-2-thiobarbituric Acid |
CAS: |
27430-18-8 |
Synonyms: |
5-Furfurylidene-2-Thiobarbituric Acid; 5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione; 5-FURFURYLIDENE-2-THIOBARBITURICACID; 5-[(Furan-2-yl)methylidene]-4,6-dihydroxy-2,5-dihydropyrimidine-2-thione; 5-(furan-2-ylmethylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
IUPAC Name: | 5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
Description: | 5-Furfurylidene-2-thiobarbituric Acid can be used as inhibitors of POSH ubiquitin ligases to treat neurological and viral diseases and cancer |
Molecular Weight: | 222.22 |
Molecular Formula: | C9H6N2O3S |
Canonical SMILES: | C1=COC(=C1)C=C2C(=O)NC(=S)NC2=O |
InChI: | InChI=1S/C9H6N2O3S/c12-7-6(4-5-2-1-3-14-5)8(13)11-9(15)10-7/h1-4H,(H2,10,11,12,13,15) |
InChI Key: | VQRARDATQWRHGF-UHFFFAOYSA-N |
References: | Alroy, I., et.al. WIPO WO2005007141 A1, (2005). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10844282-B2 | Corrosion inhibiting formulations and uses thereof | 20190311 |
US-2020291297-A1 | Corrosion inhibiting formulations and uses thereof | 20190311 |
EP-2976424-A1 | Stabilisation of biological samples | 20130318 |
EP-2976424-B1 | Stabilisation of biological samples | 20130318 |
EP-2976425-A1 | Stabilization and isolation of extracellular nucleic acids | 20130318 |
EP-2976425-B1 | Stabilization and isolation of extracellular nucleic acids | 20130318 |
EP-2976426-A1 | Stabilization and isolation of extracellular nucleic acids | 20130318 |
US-10144952-B2 | Stabilization and isolation of extracellular nucleic acids | 20130318 |
US-2016281132-A1 | Stabilization and isolation of extracellular nucleic acids | 20130318 |
US-2016281133-A1 | Stabilization and isolation of extracellular nucleic acids | 20130318 |
PMID | Publication Date | Title | Journal |
22858139 | 20120901 | Combining pharmacophore, docking and substructure search approaches to identify and optimize novel B-RafV600E inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.00991323 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.00991323 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 103Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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