Z-D(OMe)QMD(OMe)-fmk
Basic information
- CAS
767287-99-0- Standard SMILES
COC(=O)C[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)CF- InChIKey
QFITYVNVMNJELE-TUFLPTIASA-N- Molecular formula
- C29H40FN5O11S
- Average molar mass
- 685.7 g/mol
- Monoisotopic mass
- 685.24290644
Names & identifiers
- Preferred name
- Z-D(OMe)QMD(OMe)-fmk
- IUPAC
- methyl (3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-fluoro-4-oxopentanoate
- English name
- Z-DQMD-FMK
- Molecular formula
- C29H40FN5O11S
- Molecular weight
- 685.72
Names & synonyms
Z-DQMD-FMKZ-D(OMe)QMD(OMe)-fmk767287-99-0Z-Asp(OMe)-Gln-Met-Asp(OMe)-FMKmethyl (3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-fluoro-4-oxopentanoatebenzyloxycarbonyl-Asp(OMe)-Gln-Met-Asp(OMe)-fluoromethylketoneZ-Asp(OMe)-Gln-Met-Asp(OMe) fluoromethyl ketoneorb1679314SCHEMBL18328785DTXSID20349322HB1283TP2037
Show more names
CASPASE-3 INHIBITOR VZ-D(OME)QMD(OME) (FLUOROMETHYLKETONE)Z-DQMD-FMK, Z-Asp(OMe)-Gln-Met-Asp(OMe)-FMKZ-ASP(OME)-GLN-MET-ASP(OME)-FLUOROMETHYLKETONEZ-ASP(OME)-GLN-MET-DL-ASP(OME)-FLUOROMETHYLKETONEL-Methioninamide, N-[(phenylmethoxy)carbonyl]-L-α-aspartyl-L-glutaminyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-, methyl ester
AKOS024456969FA111096MS-32950PD041736CS-0145441Z-Asp(OMe)-Gln-Met-Asp(OMe) fluoromethyl ketone, powderL-Methioninamide, N-[(phenylmethoxy)carbonyl]-L-alpha-aspartyl-L-glutaminyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-, methyl ester (9CI)Methyl (5S,8S,11S,14S)-8-(3-amino-3-oxopropyl)-14-(fluoroacetyl)-5-(2-methoxy-2-oxoethyl)-11-[2-(methylsulfanyl)ethyl]-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 264 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 24
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,110
Physicochemical properties
- Boiling point
- 1028.883 · 1028.883±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 29.2 mg/mL · ≥29.2 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
- form
- powder
- pka
- 10.271 · 10.271±0.46(predicted)
- color
- white
- Comptox DTXSID
- 20349322 · DTXSID20349322
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesZ-Asp(OMe)-Gln-Met-Asp(OMe)-FMK is an inhibitor for caspase-3, and inhibits Dihydroartemisinin (HY-N0176) and Dictamnine (HY-N0849) co-induced apoptosis[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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