4-Chloro-N-methylpicolinamide
Grundinformationen
- CAS
220000-87-3- Standard-SMILES
CNC(=O)c1cc(Cl)ccn1- InChIKey
BGVBBMZMEKXUTR-UHFFFAOYSA-N- Summenformel
- C7H7ClN2O
- Durchschnittliche Molmasse
- 170,59 g/mol
- Monoisotopische Masse
- 170,0246905
Namen und Bezeichner
- Bevorzugter Name
- 4-Chloro-N-methylpicolinamide
- IUPAC
- 4-chloro-N-methylpyridine-2-carboxamide
- Englischer Name
- 4-Chloro-N-methylpicolinamide
- Summenformel
- C7H7ClN2O
- Molmasse
- 170.6
Namen und Synonyme
220000-87-34-Chloro-N-methylpicolinamide4-Chloro-N-methylpyridine-2-carboxamideDTXSID80363105RefChem:521896DTXCID80314152606-888-1N-Methyl-4-chloropyridine-2-carboxamide4-Chloro-N-methyl-2-pyridinecarboxamideMFCD021859212-Pyridinecarboxamide, 4-chloro-N-methyl-N-METHYL 4-CHLOROPICOLINAMIDE
Weitere Namen anzeigen
oro-N-methyLSorafenib INT3CAS:220000-87-34-Chloropyridine-2IFLAB-BB F2108-0189Sorafenib Impurity 06-2-pyridinecarboxamide
Sorafenib Tosylate Impurity PCHEMBL41635074-Chloro-N-methylpyridine-2-carboxamide (>90%)AKOS001123699AB11548(4-chloro(2-pyridyl))-N-methylcarboxamide4-Chloranyl-~{n}-Methyl-Pyridine-2-Carboxamide4-chloro-pyridine-2-carboxylic acid methyl amide
Datenbank-Bezeichner
- CAS
220000-87-3- PubChem CID
- 1476814
- DTXSID
DTXSID80363105- ChEMBL
CHEMBL4163507- EC Number
- 606-888-1
- Nikkaji
- J1.145.124A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 42 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Schmelzpunkt
- 41 · 41-43°C
- Siedepunkt
- 317.8 · 317.8±27.0 °C(Predicted)
- Dichte
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met
- Aggregatzustand
- Solid
- pka
- 13.41 · 13.41±0.46(Predicted)
- Farbe
- Off-White to Light Yellow
- InChI
- InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
- InChIKey
- BGVBBMZMEKXUTR-UHFFFAOYSA-N
- SMILES
- C1(C(NC)=O)=NC=CC(Cl)=C1
- CAS Datenbank
- 220000 · 220000-87-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Sicherheitsdaten
- hs_code
- 2933399990
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
Chemie und Industrie
Anwendungen
Beschreibung4-Chloro-N-methylpicolinamide is a polar organic compound that interacts with hydrogen bonds. It has been shown to inhibit the value-added of cancer cells by inhibiting protein synthesis to inhibit the growth of human hepatocellular carcinoma cells, bcr/abl kinase, and hct116 cells, and is a candidate for cancer treatment. Studies have shown that it also inhibits the proliferation of MDA-MB231 breast cancer cells by blocking growth factor activity. In addition, 4-Chloro-N-methylpicolinamide is a pharmaceutical intermediate component used in the preparation of the antineoplastic drugs regorafenib and sorafenib.
Verwenden4-Chloro-N-methylpyridine-2-carboxamide (>90%) (cas# 220000-87-3) is a compound useful in organic synthesis.
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