Trocade
Grundinformationen
- CAS
190648-49-8- Standard-SMILES
CN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C- InChIKey
GFUITADOEPNRML-SJORKVTESA-N- Summenformel
- C22H36N4O5
- Durchschnittliche Molmasse
- 436,5 g/mol
- Monoisotopische Masse
- 436,26857025
Überblick
Cipemastat is a small molecule drug. The usage of the INN stem '-mastat' in the name indicates that Cipemastat is a matrix metalloproteinase inhibitor. Cipemastat has a monoisotopic molecular weight of 436.27 Da.
Namen und Bezeichner
- Bevorzugter Name
- Trocade
- IUPAC
- (2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
- Englischer Name
- Ro 32-3555
- Summenformel
- C22H36N4O5
- Molmasse
- 436.55
Namen und Synonyme
Cipemastat190648-49-8TrocadeRo 32-3555/00002HQ4TYQ60(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamideRo-32-03555Ro-323555000DTXSID10897569RO-32-3555/000cipemastatum(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-((3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl)butanamide
Weitere Namen anzeigen
(αR,βR)-β-(Cyclopentylmethyl)-N-hydroxy-γ-oxo-α-[(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)methyl]-1-piperidinebutanamide1-Piperidinebutanamide, β-(cyclopentylmethyl)-N-hydroxy-γ-oxo-α-[(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)methyl]-, (αR,βR)-
RefChem:1100558DTXCID001326916(alphaR,betaR)-beta-(Cyclopentylmethyl)-N-hydroxy-gamma-oxo-alpha-((3,4,4-trimethyl-2,5-dioxo-1-imidazolidin-yl)methyl)-1-piperidinebutanamideRo 32-3555(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-(piperidin-1-yl)-2-((3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl)butanamideCipemastat [USAN:INN]UNII-02HQ4TYQ60C22H36N4O5
Datenbank-Bezeichner
- CAS
190648-49-8- PubChem CID
- 9824350
- DTXSID
DTXSID10897569- ChEMBL
CHEMBL115653- UNII
- 02HQ4TYQ60
- Nikkaji
- J846.779J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 110 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 713
Physikochemische Eigenschaften
- Schmelzpunkt
- 156 °C · >156°C (Dec.)
- Dichte
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 9.16 · 9.16±0.40(Predicted)
- Farbe
- Light Beige to Beige
Chemie und Industrie
Anwendungen
VerwendenRo 32-3555 is an orally active collagenase inhibitor that prevents cartilage breakdown. It is used for the treatment of arthritis.
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