Basic information
- CAS
77658-97-0- Standard SMILES
O=c1n(CC2CO2)c(=O)n(CC2CO2)n1CC1CO1- InChIKey
ZTXDHEQQZVFGPK-UHFFFAOYSA-N- Molecular formula
- C11H15N3O5
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.10117059
Overview
Anaxirone is a synthetic triepoxide alkylating agent with potential antineoplastic activity. Anaxirone alkylates DNA via actual or derived epoxide groups, resulting in inhibition of DNA synthesis. This agent has been shown to exhibit a broad spectrum of antineoplastic activity against experimental tumors, including those resistant to other alkylating agents.
Names & identifiers
- Preferred name
- 1,2,4-Tris(2-oxiranylmethyl)-1,2,4-triazolidine-3,5-dione
- IUPAC
- 1,2,4-tris(oxiran-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
- English name
- anaxirone
- Molecular formula
- C11H15N3O5
- Molecular weight
- 269.25
Names & synonyms
Anaxirone77658-97-0Anaxirona1,2,4-TriglycidylurazolAnaxironumTriglycidylurazolNSC 332488NSC33248836R61Y789T1,2,4-Triglycidyl urazol1,2,4-TGURefChem:112548
Show more names
1,2,4-Triazolidine-3,5-dione,1,2,4-tris(2-oxiranylmethyl)-
1,2,4-Tris(2-oxiranylmethyl)-1,2,4-triazolidine-3,5-dione278-745-8TriglycidylurazoleNSC-332488Anaxirone [INN]1,2,4-tris(oxiran-2-ylmethyl)-1,2,4-triazolidine-3,5-dioneTris(2,3-epoxypropyl)bicarbamimide1,2,4-Triazolidine-3,5-dione, 1,2,4-tri(oxiranylmethyl)-
Database identifiers
- CAS
77658-97-0、99212-42-7- PubChem CID
- 71218
- DTXSID
DTXSID10868451- ChEMBL
CHEMBL2105991- UNII
- 36R61Y789T
- EC Number
- 278-745-8
- Nikkaji
- J22.779J
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 91 °C · 91°C
- Boiling point
- 412.4 °C · 412.4°C (rough estimate)
- Density
- 1.2986 · 1.2986 (rough estimate)
- refractive index
- 1.493 · 1.4930 (estimate)
- pka
- -1.72 · -1.72±0.20(Predicted)
- Water Solubility
- 0.2 g/L · 0.2g/L(temperature not stated)
- FDA UNII
- 36 R61Y789T · 36R61Y789T
- NCI Drug Dictionary
- anaxirone
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,2,4-Triazolidine-3,5-dione, 1,2,4-tris(oxiranylmethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Applications
UsesTriglycidylurazole is a drug shown to reduce tumor-induced bone destruction in the rat.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
3 records
Compound notes
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