Grundinformationen
- Standard-SMILES
O=C(NC1CC1)c1cn(-c2cccc(C#Cc3ccc[n+]([O-])c3)c2)c2ncccc2c1=O- InChIKey
JJWKQXNHYDJXKF-UHFFFAOYSA-N- Summenformel
- C25H18N4O3
- Durchschnittliche Molmasse
- 422,4 g/mol
- Monoisotopische Masse
- 422,13789044
Überblick
MK-0873 has been used in trials studying the treatment of Rheumatoid Arthritis.
Namen und Bezeichner
- Bevorzugter Name
- Mk-0873
- IUPAC
- N-cyclopropyl-1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
- Englischer Name
- MK0873
- Summenformel
- C25H18N4O3
- Molmasse
- 422.44
Namen und Synonyme
MK-0873500355-52-2MK0873K4KAC9XCCOMK 0873N-Cyclopropyl-1-(3-((1-oxidopyridin-3-yl)ethynyl)phenyl)-1,4-dihydro(1,8)naphthyridin-4-one-3-carboxamide1,8-Naphthyridine-3-carboxamide, N-cyclopropyl-1,4-dihydro-1-(3-((1-oxido-3-pyridinyl)ethynyl)phenyl)-4-oxo-N-cyclopropyl-1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamideDTXSID80198191N-cyclopropyl-1-(3-(2-(1-oxidopyridin-1-ium-3-yl)ethynyl)phenyl)-4-oxo-1,8-naphthyridine-3-carboxamideRefChem:159180DTXCID10120682
Weitere Namen anzeigen
1,8-Naphthyridine-3-carboxamide,N-cyclopropyl-1,4-dihydro-1-[3-[(1-oxido-3-pyridinyl)ethynyl]phenyl]-4-oxo-
3-(2-(3-(3-(cyclopropylcarbamoyl)-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl)phenyl)ethynyl)pyridin-1-ium-1-olateUNII-K4KAC9XCCOCHEMBL485629N-Cyclopropyl-1,4-dihydro-1-[3-[2-(1-oxido-3-pyridinyl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamideJJWKQXNHYDJXKF-UHFFFAOYSA-N1,8-NAPHTHYRIDINE-3-CARBOXAMIDE, N-CYCLOPROPYL-1,4-DIHYDRO-1-[3-[2-(1-OXIDO-3-PYRIDINYL)ETHYNYL]PHENYL]-4-OXO-GTPL9853SCHEMBL4950462
Datenbank-Bezeichner
- CAS
500355-52-2- PubChem CID
- 9919680
- DTXSID
DTXSID80198191- ChEMBL
CHEMBL485629- UNII
- K4KAC9XCCO
- EC Number
- 682-244-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 87,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 839
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Siedepunkt
- 772.1 · 772.1±60.0 °C(Predicted)
- Dichte
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 11.61 · 11.61±0.20(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P319, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 35 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds that specifically inhibit PHOSPHODIESTERASE 4.
Anbieter7 Anbieter
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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