(R)-3-(4-Chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
Grundinformationen
- CAS
656827-86-0- Standard-SMILES
CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1- InChIKey
AXJQVVLKUYCICH-NRFANRHFSA-N- Summenformel
- C23H20Cl2N4O2S
- Durchschnittliche Molmasse
- 487,4 g/mol
- Monoisotopische Masse
- 486,0684025
Namen und Bezeichner
- Bevorzugter Name
- (R)-3-(4-Chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
- IUPAC
- (4R)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
- Englischer Name
- (R)-SLV 319
- Summenformel
- C23H20Cl2N4O2S
- Molmasse
- 487.4
Namen und Synonyme
656827-86-0(R)-SLV 319(4R)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamideCHEMBL346994(R)-3-(4-Chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide(R)-(+)-SLV 319C23H20Cl2N4O2SIbipinabant Impurity 2orb1704883SCHEMBL8140161DTXSID00463595HMS3650M16
Weitere Namen anzeigen
SLV 319, (R)-(+)-4-chloro-N-{[3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-methylamino-methylene}-benzenesulfonamide(4R)-3-(4-Chlorophenyl)-N-[(4-chlorophenyl)sulfonyl]-4,5-dihydro-N'-methyl-4-phenyl-1H-pyrazole-1-carboximidamide1H-Pyrazole-1-carboximidamide, 3-(4-chlorophenyl)-N-[(4-chlorophenyl)sulfonyl]-4,5-dihydro-N'-methyl-4-phenyl-, (4R)-
BDBM50138913MFCD09951896AKOS040744989DA-59619HY-121616CS-0082880E98950T22140
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,3
- Polarare Oberfläche (TPSA)
- 82,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 791
Physikochemische Eigenschaften
- Schmelzpunkt
- 160 · 160-162 °C
- Siedepunkt
- 623.2 · 623.2±65.0 °C(Predicted)
- Dichte
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 30 mg/ml · ≤30mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
- Aggregatzustand
- crystalline solid
- pka
- 11 · 11+-.0.60(Predicted)
Chemie und Industrie
Anwendungen
BeschreibungCentral cannabinoid (CB1) receptor antagonists may have potential in the treatment of a number of diseases such as neuroinflammatory disorders, cognitive disorders, septic shock, obesity, psychosis, addiction, and gastrointestinal disorders. (R)-SLV 319 is the inactive enantiomer of SLV 319 with 100-fold less affinity for the CB1 receptor. SLV 319 is a potent and selective CB1 receptor antagonist with Ki values of 7.8 and 7,943 nM for CB1 and peripheral cannabinoid (CB2) receptors, respectively. SLV 319 is less lipophilic (log P = 5.1) and therefore more water soluble than other known CB1 receptor ligands.
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