Basic information
- CAS
143413-73-4- Standard SMILES
CCCCN1C(=O)C(=O)N(CCCC)C1=S- InChIKey
XUHLNLNNPFTDLA-UHFFFAOYSA-N- Molecular formula
- C11H18N2O2S
- Average molar mass
- 242.34 g/mol
- Monoisotopic mass
- 242.10889899
Overview
1,3-dibutyl-2-sulfanylideneimidazolidine-4,5-dione is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- Merodantoin
- IUPAC
- 1,3-dibutyl-2-sulfanylideneimidazolidine-4,5-dione
- English name
- merodantoin
- Molecular formula
- C11H18N2O2S
- Molecular weight
- 242.33782
Names & synonyms
Merodantoin143413-73-41,3-Dibutyl-2-thioxo-4,5-imidazolidinedioneN,N'-Dibutyl-2-thio-4,5-imidazolidionDTXSID40162414RefChem:156629DTXCID80849051,3-dibutyl-2-sulfanylideneimidazolidine-4,5-dione1,3-Dibutyl-2-thioxoimidazolidine-4,5-dione1,3-Dibutyl-2-thiooxo-imidazolidine-4,5-dione4,5-Imidazolidinedione, 1,3-dibutyl-2-thioxo-starbld0003324
Show more names
Merodantoin, 10 mM in DMSO
orb1304319SCHEMBL9432000CHEBI:125660XUHLNLNNPFTDLA-UHFFFAOYSA-NGLXC-07543AKOS040753004CCG-208041DA-75421
Database identifiers
- CAS
143413-73-4- PubChem CID
- 134014
- DTXSID
DTXSID40162414- ChEBI
CHEBI:125660- Nikkaji
- J649.049B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Chemistry & industry
Applications
DescriptionMerodantoin, also known as compound C1, is an apoptosis inducer, triggering ROS dependent autophagy-associated apoptosis in a variety of human cancer cell lines and against mutant KRAS expressing cancer cells involving AKT-dependent ROS production.
UsesMerodantoin has significant antitumor activity in vitro and in vivo, and has less toxicity to normal cells and tissues[1].
Suppliers7 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: 1,3-dibutyl-2-sulfanylideneimidazolidine-4,5-dione is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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