Aminoanfol
Basic information
- CAS
25312-31-6- Standard SMILES
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)cc3)cnc2n1- InChIKey
ODLOSKQDGGOAJH-UHFFFAOYSA-N- Molecular formula
- C18H18N8O5
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.1400157
Names & identifiers
- Preferred name
- Aminoanfol
- IUPAC
- 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanedioic acid
- English name
- N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]-L-aspartic acid
- Molecular formula
- C18H18N8O5
- Molecular weight
- 426.39
Names & synonyms
25312-31-6Aminoanfol2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanedioic acidN-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]-L-aspartic acid4-Amino pteroylaspartic acidNSC98535(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanedioic acidNSC 98535NSC-98535DA-54806L-Aspartic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-Aspartic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-
Show more names
Amino-an-folL-Aspartic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-
L-Aspartic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-L-Aspartic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-Aspartic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L-
Database identifiers
- CAS
25312-31-6- PubChem CID
- 46855
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Density
- 1.635 · 1.635±0.06 g/cm3(Predicted)
- pka
- 3.18 · 3.18±0.10(Predicted)
Chemistry & industry
Applications
Uses4-Aminopteroylaspartic acid (Amino-An-Fol) inhibits the growth of psittacosis virus (6BC) in tissue cultures at concentrations which were not toxic. 4-Aminopteroylaspartic acid inhibts growth of meningopneumonitis virus in embryonated eggs or tissue culture[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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