CAS 220000-87-3 4-Chloro-N-methylpicolinamide (HCID 1476814)

名称と識別子

優先名称: 4-Chloro-N-methylpicolinamide
IUPAC: 4-chloro-N-methylpyridine-2-carboxamide
現地名: N-メチル-4-クロロ-2-ピリジンカルボキシアミド塩化物
英語名: 4-Chloro-N-methylpicolinamide
分子式: C7H7ClN2O
分子量: 170.6

名称と別名

220000-87-34-Chloro-N-methylpicolinamide4-Chloro-N-methylpyridine-2-carboxamideDTXSID80363105RefChem:521896DTXCID80314152606-888-1N-Methyl-4-chloropyridine-2-carboxamide4-Chloro-N-methyl-2-pyridinecarboxamideMFCD02185921N-METHYL 4-CHLOROPICOLINAMIDECHEMBL4163507

名称をさらに表示

N-メチル-4-クロロ-2-ピリジンカルボキシアミド塩化物4-クロロ-N-メチル-2-ピリジンカルボキサミド4-クロロ-N-メチルピコリンアミド4-クロロ-N-メチルピリジン-2-カルボキサミド (>90%)4-クロロ-N-メチルピリジン-2-カルボキサミドN-メチル-4-クロロ-2-ピリジンカルボキシアミドoro-N-methyLSorafenib INT3CAS:220000-87-34-Chloropyridine-2IFLAB-BB F2108-0189Sorafenib Impurity 06-2-pyridinecarboxamide

4-Chloro-N-methylpyridine-2-carboxamide (>90%)(4-chloro(2-pyridyl))-N-methylcarboxamide4-Chloranyl-~{n}-Methyl-Pyridine-2-Carboxamide4-Chloro-N-methylpyridine-2-carboxamide (>90per cent)2-Pyridinecarboxamide, 4-chloro-N-methyl-7MU4-CHLOROPYRIDINE-2-CARBOXYLIC ACID METHYLAMIDESorafenib Impurity 47

データベース識別子

CAS: 220000-87-3
PubChem CID: 1476814
DTXSID: DTXSID80363105
ChEMBL: CHEMBL4163507
EC Number: 606-888-1
Nikkaji: J1.145.124A

物性

構造計算による物性

XLogP: 1.1
極性表面積: 42 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 41 · 41-43°C
沸点: 317.8 · 317.8±27.0 °C(Predicted)
比重(密度): 1.264 · 1.264±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、ジクロロメタン（微量）、酢酸エチル（微量）、Met
外見: 個体
酸解離定数(Pka): 13.41 · 13.41±0.46(Predicted)
色: オフホワイトからライトイエロー
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 データベース: 220000 · 220000-87-3(CAS DataBase Reference)

化学的性質

化学的特性Pale-Yellow Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (87.5%)

安全データ

hs_code: 2933399990
risk_code: 22-36
hazard_code: Xn
safety_code: 26

化学と産業

応用分野 · 2 件

説明4-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.

使用4-Chloro-N-methylpyridine-2-carboxamide (>90%) (cas# 220000-87-3) is a compound useful in organic synthesis.