Sivifene
Basic information
- CAS
2675-35-6- Standard SMILES
O=[N+]([O-])c1ccc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c([N+](=O)[O-])c1- InChIKey
YOQPCWIXYUNEET-UHFFFAOYSA-N- Molecular formula
- C19H14N4O6
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 394.09133418
Overview
Sivifene is the phenylhydrazone 4,4'-dihydroxybenzophenone-2,4-dinitrophenylhydrazone formulated as a topical agent with immunomodulating and potential antineoplastic activities. Applied topically as a gel, sivifene may stimulate a local immune response against human papillomavirus (HPV)-induced cervical intraepithelial neoplasia (CIN).
Names & identifiers
- Preferred name
- Sivifene
- IUPAC
- 4-[N-(2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
- English name
- Sivifene
- Molecular formula
- C19H14N4O6
- Molecular weight
- 394.34
Names & synonyms
Sivifene2675-35-6A-007SivifenoXAV05295I54,4'-Dihydroxybenzophenone 2,4-dinitrophenylhydrazoneDTXSID30949554sivifenumRefChem:886381Aryl Hydrazone A-007 GelDTXCID401767497Bis(4-hydroxyphenyl)methanone 2-(2,4-dinitrophenyl)hydrazone
Show more names
Sivifene, 10 mM in DMSOYOQPCWIXYUNEET-UHFFFAOYSA-NBis(4-hydroxyphenyl)methanone (2,4-dinitrophenyl)hydrazoneMethanone, bis(4-hydroxyphenyl)-, 2-(2,4-dinitrophenyl)hydrazone
4-((2-(2,4-dinitrophenyl)hydrazin-1-ylidene)(4-hydroxyphenyl)methyl)phenolSivifene [USAN:INN]A 007UNII-XAV05295I5A0074,4'-Dihydroxybenzophenone-2,4-dinitrophenyl-hydrazoneMethanone, bis(4-hydroxyphenyl)-, (2,4-dinitrophenyl)hydrazone4-[N-(2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
Database identifiers
- CAS
2675-35-6- PubChem CID
- 3089902
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 579
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.47 · 1.47
- form
- Solid
- color
- Brown to reddish brown
- FDA UNII
- 5295 I5 · XAV05295I5
- Toxicity
- 50 oral · LD50 oral in rat: 4300mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: 4300mg/kg
Chemistry & industry
Applications
UsesSivifene (A-007) is a triaryl hydrazone. Sivifene has anticancer activity and immunomodulatory effects. Sivifene regulates immune regulation by upregulating CD45 T lymphocyte surface receptors[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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