11-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
Grundinformationen
- CAS
133627-24-4- Standard-SMILES
O=C1Nc2c(CO)ccnc2N(C2CC2)c2ncccc21- InChIKey
SEBABOMFNCVZGF-UHFFFAOYSA-N- Summenformel
- C15H14N4O2
- Durchschnittliche Molmasse
- 282,3 g/mol
- Monoisotopische Masse
- 282,11167569
Überblick
12-hydroxynevirapine is a dipyridodiazepine that is nevirapine in which one of the hydrogens of the methyl group has been substituted by a hydroxy group. It is a metabolite of the anti-HIV drug, nevirapine. It has a role as a drug metabolite. It is an aromatic primary alcohol, a member of cyclopropanes and a dipyridodiazepine. It is functionally related to a nevirapine.
Namen und Bezeichner
- Bevorzugter Name
- 11-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
- IUPAC
- 2-cyclopropyl-7-(hydroxymethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- Englischer Name
- 11-Cyclopropyl-5,11-dihydro-4-(hydroxyMethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4] diazepin-6-one
- Summenformel
- C15H14N4O2
- Molmasse
- 282.3
Namen und Synonyme
133627-24-412-Hydroxy nevirapineY6L0287CM411-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneDTXSID9015826111-CYCLOPROPYL-5,11-DIHYDRO-4-(HYDROXYMETHYL)-6H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-6-ONERefChem:1057344DTXCID908075212-Hydroxynevirapine12-hydroxy-NVP12-hydroxy-nevirapineCHEMBL39343
Weitere Namen anzeigen
Nevirapine 12-Hydroxy12-Hydroxy Nevirapine D712-Hydroxy Nevirapine D411-cyclopropyl-4-(hydroxymethyl)-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-oneN11-Cyclopropyl-4-hydroxymethyl-5,11-dihydro-6H-dipyrido(3,2-b:2,3-e)(1,4)diazepin-6-one11-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido[3,2-b:2,3-e][1,4]\ndiazepin-6-one11-Cyclopropyl-5,11-dihydro-4-(hydroxyMethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4] diazepin-6-one6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-11-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido[3,2-b:2′,3′-e][1,4] diazepin-6-one, CAS 133627-24-412-Hydroxy NevirapineQ: What is 12-Hydroxy Nevirapine Q: What is the CAS Number of 12-Hydroxy Nevirapine Q: What is the storage condition of 12-Hydroxy Nevirapine
2-cyclopropyl-7-(hydroxymethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one11-cyclopropyl-4-(hydroxymethyl)-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one12-Hydroxy Nevirapine;N11-Cyclopropyl-4-hydroxymethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneN11-Cyclopropyl-4-hydroxymethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-onestarbld003514212-OH-NVPUNII-Y6L0287CM4
Datenbank-Bezeichner
- CAS
133627-24-4- PubChem CID
- 453338
- DTXSID
DTXSID90158261- ChEMBL
CHEMBL39343- ChEBI
CHEBI:145206- UNII
- Y6L0287CM4
- Nikkaji
- J420.607J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 78,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 414
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Metabolite of Nevirapine
Physikochemische Eigenschaften
- Schmelzpunkt
- 184 oC · >184oC (dec.)
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Pale Yellow to Light Brown
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsKidney
Cellular LocationsExtracellular
Metabolite PathwaysNevirapine Metabolism Pathway
Anwendungen
Verwenden11-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, is a metabolite of Nevirapine (N391275), which is a potent (IC50=84nM) and selective non-nucleoside inhibitor of HIV-1 reverse transcriptase. It is also an antiviral.
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