N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
Grundinformationen
- CAS
348086-71-5- Standard-SMILES
Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O- InChIKey
IVZKZONQVYTCKC-UHFFFAOYSA-N- Summenformel
- C18H18N4O3S2
- Durchschnittliche Molmasse
- 402,5 g/mol
- Monoisotopische Masse
- 402,08203244
Überblick
Pritelivir has been used in trials studying the prevention of HSV-2 and Genital Herpes.
Namen und Bezeichner
- Bevorzugter Name
- N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
- IUPAC
- N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
- Englischer Name
- BAY-57-1293
- Summenformel
- C18H18N4O3S2
- Molmasse
- 402.49
Namen und Synonyme
Pritelivir348086-71-5BAY-57-1293AIC-31607HQ1TJ4JEN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamideAIC090093AIC-090093DTXSID70188344n-[5-(aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]-n-methyl-2-[4-(2-pyridinyl)phenyl]acetamideN-(5-(Aminiosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamideBenzeneacetamide, N-(5-(aminosulfonyl)-4-methyl-2-thiazolyl)-N-methyl-4-(2-pyridinyl)-
Weitere Namen anzeigen
CS-857Pritelivir baseBAY571293(Pritelivir)Pritelivir,BAY-57-1293Pritelivir, 10 mM in DMSO
Benzeneacetamide, N-[5-(aminosulfonyl)-4-methyl-2-thiazolyl]-N-methyl-4-(2-pyridinyl)-N-(5-(AMINOSULFONYL)-4-METHYL-1,3-THIAZOL-2-YL)-N-METHYL-2-(4-(2-PYRIDINYL)PHENYL)ACETAMIDEpritelivirumRefChem:176034DTXCID00110835BAY 57-1293N-Methyl-N-(4-methyl-5-sulfamoylthiazol-2-yl)-2-(4-(pyridin-2-yl)phenyl)acetamideAIC316
Datenbank-Bezeichner
- CAS
348086-71-5- PubChem CID
- 491941
- DTXSID
DTXSID70188344- ChEMBL
CHEMBL4069597- UNII
- 07HQ1TJ4JE
- Nikkaji
- J1.735.177J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 143 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 617
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Siedepunkt
- 639.4 · 639.4±65.0 °C(Predicted)
- Dichte
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Löslichkeit
- 2 O; · insoluble in H2O; insoluble in EtOH; ≥13.9 mg/mL in DMSO
- Aggregatzustand
- solid
- pka
- 9.31 · 9.31±0.60(Predicted)
- Farbe
- White to off-white
- InChI
- InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
- InChIKey
- IVZKZONQVYTCKC-UHFFFAOYSA-N
- SMILES
- C1(CC(N(C2=NC(C)=C(S(N)(=O)=O)S2)C)=O)=CC=C(C2=NC=CC=C2)C=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
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