Basic information
- CAS
1955550-51-2- Standard SMILES
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12- InChIKey
VMVOHHPQIAPYHG-NRFANRHFSA-N- Molecular formula
- C23H21FN2O3
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.1536207
Names & identifiers
- Preferred name
- N-[(1S)-1-Benzyl-2-[(3-fluoro-2-oxo-propyl)amino]-2-oxo-ethyl]naphthalene-1-carboxamide
- IUPAC
- N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
- English name
- FMK 9a
- Molecular formula
- C23H21FN2O3
- Molecular weight
- 392.42
Names & synonyms
FMK 9a1955550-51-2FMK-9aFMK 9a?CHEMBL4520267N-[(1S)-1-Benzyl-2-[(3-fluoro-2-oxo-propyl)amino]-2-oxo-ethyl]naphthalene-1-carboxamideN-[(2S)-1-[(3-Fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamideFMK9aorb1707305SCHEMBL28719239C23H21FN2O3BDBM50536838
Show more names
FMK 9a, 10 mM in DMSOinhibit,FMK 9a,Autophagy,InhibitorFMK 9a New(2S)-N-(3-fluoro-2-oxopropyl)-2-[(naphthalen-1-yl)formamido]-3-phenylpropanamide1-Naphthalenecarboxamide, N-[(1S)-2-[(3-fluoro-2-oxopropyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-
MFCD31382128AKOS040741741CS-6472DA-53271MS-26558HY-100522G16067T15303
Database identifiers
- CAS
1955550-51-2- PubChem CID
- 127020966
- ChEMBL
CHEMBL4520267
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Physicochemical properties
- Boiling point
- 724.6 · 724.6±60.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 100 mg/mL · DMSO: 100 mg/mL (254.83 mM)
- pka
- 12.82 · 12.82±0.46(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesFMK 9a is an autophagin-1 inhibitor with IC50 values of 80 and 73 μM in FRET and LRA assay.
Suppliers22 total
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
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HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
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Related reactions
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Compound notes
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