Forphenicine
Basic information
- CAS
57784-96-0- Standard SMILES
NC(C(=O)O)c1ccc(C=O)c(O)c1- InChIKey
MWSKDGPKFCWPOF-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Overview
alkaline phosphatase inhibitor from Actinomycetes; structure
Names & identifiers
- Preferred name
- Forphenicine
- IUPAC
- 2-amino-2-(4-formyl-3-hydroxyphenyl)acetic acid
- English name
- Forphenicine
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
Forphenicine57784-96-02-amino-2-(4-formyl-3-hydroxyphenyl)acetic acidforfenicin4-Formyl-3-hydroxyphenylglycineBENZENEACETIC ACID, alpha-AMINO-4-FORMYL-3-HYDROXY-RefChem:141330alpha-Amino-4-formyl-3-hydroxybenzeneacetic acidBRN 5008292DTXSID00973366AKOS006279606FF163238
Show more names
L-(+)-Forphenicinα-Amino-4-formyl-3-hydroxybenzeneacetic acidBenzeneacetic acid, α-amino-4-formyl-3-hydroxy-, (αS)-
amino(4-formyl-3-hydroxyphenyl)acetic acid
Database identifiers
- CAS
57784-96-0- PubChem CID
- 42560
- DTXSID
DTXSID00973366- Nikkaji
- J11.838I
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 419.4 · 419.4±45.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 1.62 · 1.62±0.10(Predicted)
- form
- A solid
Chemistry & industry
Applications
UsesForphenicine is a bacterial metabolite that is found in S. fulvoviridis and an inhibitor of alkaline phosphatase. Forphenicine inhibits the growth of HL-60 leukemia cells at 10 μM. Forphenicine also increases survival in a guinea pig model of experimental autoimmune encephalomyelitis (EAE)[1][2].
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Compound notes
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