Antineoplaston AS2-1
Basic information
- CAS
104624-98-8- Standard SMILES
NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)[O-].O=C([O-])Cc1ccccc1.[Na+].[Na+]- InChIKey
PFWDHRASWSUTIA-KAFJHEIMSA-L- Molecular formula
- C21H22N2Na2O6
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.12732499
Overview
Antineoplaston AS2-1 is a 4:1 mixture of phenylacetate and phenylacetylgluatmine, degradation products of the antineoplaston agent A10. Antineoplaston AS2-1 inhibits the incorporation of L-glutamine into tumor-cell proteins, leading to cell cycle arrest in the G1 phase and inhibition of mitosis. This agent may also inhibit RAS oncogene expression and activate tumor suppressor gene p53, resulting in cell differentiation and apoptosis. (NCI04)
Names & identifiers
- Preferred name
- Antineoplaston AS2-1
- IUPAC
- disodium;(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate;2-phenylacetate
Names & synonyms
Antineoplaston AS 2-1antineoplaston AS21AS2-1 antineoplastonastugenalRefChem:113234AS2-1L-Glutamine, N2-(phenylacetyl)-, Monosodium Salt, Mixture with Sodium BenzeneacetateAntineoplaston AS2-1NSC620261disodium;(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoate;2-phenylacetateDTXSID40909063Benzeneacetic acid, sodium salt, mixt. with N2-(phenylacetyl)-L-glutamine monosodium salt
Show more names
sodium (2-phenylacetyl)-L-glutaminate 2-phenylacetateSCHEMBL15532272L-Glutamine, N2-(phenylacetyl)-, monosodium salt, mixt. with sodium benzeneacetateSodium N-[(1S)-3-carboximidato-1-carboxypropyl]-2-phenylethanimidate--phenylacetic acid (2/1/1)
Database identifiers
- CAS
104624-98-8- PubChem CID
- 148137
- DTXSID
DTXSID40909063
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…