基本情報
- CAS
87272-20-6- 標準SMILES
CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O- InChIKey
HYSMCRNFENOHJH-UHFFFAOYSA-N- 分子式
- C20H38O4
- 平均分子量
- 342.5 g/mol
- 単同位体質量
- 342.27700969
概要
MEDICA 16 is an alpha,-dicarboxylic acid that is hexadecanedioic acid carrying methyl groups at positions 3 and 14. It is a free fatty acid 1 (FFA1/GPR40) receptor agonist and an ATP citrate lyase inhibitor, and exhibits hypolipidemic and antidiabetogenic properties. It has a role as an EC 2.3.3.8 (ATP citrate synthase) inhibitor, a hypoglycemic agent, an antilipemic drug, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor and a G-protein-coupled receptor agonist.
名称と識別子
- 優先名称
- Medica 16
- IUPAC
- 3,3,14,14-tetramethylhexadecanedioic acid
- 現地名
- MEDICA16
- 英語名
- MEDICA 16
- 分子式
- C20H38O4
- 分子量
- 342.51
名称と別名
MEDICA 1687272-20-63,3,14,14-Tetramethylhexadecanedioic acidMedic-16MEDICA-16TC257FLPCKCHEBI:149582DTXSID00236246RefChem:156225DTXCID00158737MEDICA16MFCD00797684
名称をさらに表示
β,β′-テトラメチルヘキサデカン二酸β,β′-テトラメチルヘキサデカン-α,ω-二酸3,3,14,14-テトラメチルヘキサデカン二酸メジカ16MEDICA16, 10 mM in DMSO3,3,14,14-TETRAMETHYLHEXADECANEDIONIC ACIDACLY,antidiabetogenic,ATP Citrate Lyase,antidiabetic,skeletal,Inhibitor,MEDICA16,ligands,Free Fatty Acid Receptor,MEDICA-16,insulin,FFAR,endogenous,muscle,inhibit
CHEMBL638293,3,14,14-Tetramethyl-hexadecanedioic acidHexadecanedioic acid, 3,3,14,14-tetramethyl-SR-010009466653,3,14,14-Tetramethyl-hexadecane-1,16-dioic acid3,3,14,14-Tetramethylhexanedecanedioic acidUNII-TC257FLPCKHexadecandioic acid, 3,3,14,14-tetramethyl-
データベース識別子
- CAS
87272-20-6- PubChem CID
- 121871
- DTXSID
DTXSID00236246
物性
構造計算による物性
- XLogP
- 7
- 極性表面積
- 74.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 15
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 336
物理化学的性質
- 融点
- 154 · 154-159 °C
- 沸点
- 485.9 · 485.9±18.0 °C(Predicted)
- 比重(密度)
- 0.984 · 0.984±0.06 g/cm3(Predicted)
- 貯蔵温度
- 20 °C · −20°C
- 溶解性
- 28 mg/mL · DMSO: 28 mg/mL
- 外見
- 個体
- 酸解離定数(Pka)
- 4.51 · 4.51±0.10(Predicted)
- 色
- 白い
- InChI
- 1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)
- InChIKey
- HYSMCRNFENOHJH-UHFFFAOYSA-N
- SMILES
- CC(C)(CCCCCCCCCCC(C)(C)CC(O)=O)CC(O)=O
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。
安全データ
- wgk
- 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
応用分野
説明MEDICA 16 is a β,β''-dimethyl hexadecanedioic acid which exhibits hypolipidemic and antidiabetogenic effects in the rat. In animals that were fed a diet which was 0.25% MEDICA 16 by weight, the hypolipidemic effect consisted of a 70-80% decrease in plasma chylomicrons and VLDL-triacylglycerols as well as a 40-60% decrease in plasma VLDL-cholestrol.
使用MEDICA 16 is a β,β'-dimethyl hexadecanedioic acid which exhibits hypolipidemic and antidiabetogenic effects in the rat. In animals that were fed a diet which was 0.25% MEDICA 16 by weight, the hypolipidemic effect consisted of a 70-80% decrease in plasma chylomicrons and VLDL-triacylglycerols as well as a 40-60% decrease in plasma VLDL-cholestrol.
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化合物ノート
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