N-(2,4,6-トリメトキシフェニル)-2,2-ジメチルドデカンアミド
2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
基本情報
- CAS
114289-47-3- 標準SMILES
CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC- InChIKey
WAFNZAURAWBNDZ-UHFFFAOYSA-N- 分子式
- C23H39NO4
- 平均分子量
- 393.6 g/mol
- 単同位体質量
- 393.28790873
概要
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide is an anilide.
名称と識別子
- 優先名称
- 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
- IUPAC
- 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
- 現地名
- N-(2,4,6-トリメトキシフェニル)-2,2-ジメチルドデカンアミド
- 英語名
- 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
- 分子式
- C23H39NO4
- 分子量
- 393.56
名称と別名
114289-47-32,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamidePD 128042Dodecanamide, 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)-PD-128042PD1280428653IQ20EADTXSID00150690RefChem:858781DTXCID3073181CI 976CI-976
名称をさらに表示
N-(2,4,6-トリメトキシフェニル)-2,2-ジメチルドデカンアミド2,2-ジメチル-N-(2,4,6-トリメトキシフェニル)ドデカンアミドCI-976 (PD 128042)PD 128042, 10 mM in DMSON-(2,4,6-Trimethoxyphenyl)-2,2-dimethyldodecanamide2,2-dimethyl-n-(2,4,6-trimethoxyphenyl)-dodecanamidinhibit,oral,PD128042,PD 128042,CI-976,Diacylglycerol acyltransferase,PD-128042,Acyltransferase,transferase,secretory,LPAT,acyl-CoA:cholesterol acyltransferase,mono- acylglycerol acyltransferase,endocytic membrane trafficking pathway,ACAT,CI976,Diglyceride acyltransferase,Inhibitor
CHEMBL22373BRN 5831010WAFNZAURAWBNDZ-UHFFFAOYSA-NSCHEMBL691688UNII-8653IQ20EAorb1305858CHEBI:95040HMS3262L19
物性
構造計算による物性
- XLogP
- 7.1
- 極性表面積
- 56.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 14
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 413
物理化学的性質
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 10 mg/mL · DMSO：>10mg/mL
- 外見
- 個体
- 色
- White to off-white
- InChI
- InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
- InChIKey
- WAFNZAURAWBNDZ-UHFFFAOYSA-N
- SMILES
- C(NC1=C(OC)C=C(OC)C=C1OC)(=O)C(C)(C)CCCCCCCCCC
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
安全データ
- wgk
- 3
- Hazard Classifications
- Aquatic Chronic 4
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
応用分野
説明Acyl-coenzyme A:cholesterol acyltransferase 1 (ACAT-1) is a sterol O-acyltransferase that catalyzes the formation of fatty acid-cholesterol esters, an important step in lipoprotein assembly and dietary cholesterol absorption. CI-976 is a potent, selective inhibitor of ACAT-1 (IC50 = 73 nM). It is orally bioavailable and decreases plasma total cholesterol, very low density lipoprotein (VLDL) cholesterol, LDL cholesterol, apolipoprotein B, liver cholesteryl esters, and VLDL and LDL cholesteryl ester content in rabbits given a diet that induces hypercholesterolemia. CI-976 also diminishes atherosclerotic activity in hypercholesterolemic rabbits.
使用CI-976 (2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide) is a selective inhibitor of Acyl-coenzyme A: cholesterol Acyltransferase 1 (ACAT-1), a sterol O-acetyltransferase that catalyzes information of fatty acid-cholesterol esters. Orally bioavailable and decreses plasma total cholesterol
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