Proksifein
Basic information
- CAS
80539-94-2- Standard SMILES
CN(C)CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
LIYPIYBPJXKPIV-UHFFFAOYSA-N- Molecular formula
- C13H21N5O3
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.16443955
Overview
structure given in first source
Names & identifiers
- Preferred name
- Proksifein
- IUPAC
- 8-[3-(dimethylamino)propoxy]-1,3,7-trimethylpurine-2,6-dione
- English name
- proksifein
- Molecular formula
- C13H21N5O3
- Molecular weight
- 295.34
Names & synonyms
ProksifeinProxifeine80539-94-28-(3-(Dimethylamino)propoxy)-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione1H-Purine-2,6-dione, 8-(3-(dimethylamino)propoxy)-3,7-dihydro-1,3,7-trimethyl-RefChem:9300188-(3-Dimethylamino-propoxy)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione84984-05-4KD2LS9Y6E38-(3-(Dimethylamino)propoxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione8-[3-(dimethylamino)propoxy]-1,3,7-trimethylpurine-2,6-dione8-[3-(dimethylamino)propoxy]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Show more names
1H-Purine-2,6-dione, 8-[3-(dimethylamino)propoxy]-3,7-dihydro-1,3,7-trimethyl-
Cofpropamine8-[3-(dimethylamino)propoxy]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dioneUNII-KD2LS9Y6E3PROXIFEINE [WHO-DD]CBDivE_0103048-dimethylaminopropoxy-caffeineorb2802384CHEMBL1619837
Database identifiers
- CAS
80539-94-2、84984-05-4- PubChem CID
- 133294
- DTXSID
DTXSID901005309- ChEMBL
CHEMBL1619837- UNII
- KD2LS9Y6E3
- Nikkaji
- J789.283G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- FDA UNII
- 2 LS9Y6E3 · KD2LS9Y6E3
Chemistry & industry
Applications
UsesCofpropamine, a caffeine derivative that inhibits polyadenylation, enhances the inhibitory effect of cyclophosphamide (HY-17420) in rat adjuvant arthritis and mouse collagen arthritis models[1].
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Related reactions
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Compound notes
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