hexylsuccinic acid diethyl ester | 18755-30-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: hexylsuccinic acid diethyl ester
• 英文别名: diethyl n-hexylsuccinate；n-Hexyl-bernsteinsaeure-diethylester；Diethyl 2-hexylbutanedioate
• CAS: 18755-30-1
• 化学式: C₁₄H₂₆O₄
• 分子量: 258.358
• InChiKey: DZKVMOJBGDUQGT-UHFFFAOYSA-N

物化性质

• 沸点：
  104-105 °C(Press: 2 Torr)
• 密度：
  0.967±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  hexylsuccinic acid diethyl ester 在 乙醇 、 一水合肼 作用下， 生成 hexyl-succinic acid dihydrazide
  参考文献：
  名称：

  Takata et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1955, vol. 75, p. 233

  摘要：

  DOI：
• 作为产物：
  描述：

  octane-1,2,2-tricarboxylic acid triethyl ester 在 氢氧化钾 、 硫酸 作用下， 以 苯 为溶剂， 反应 27.0h， 生成 hexylsuccinic acid diethyl ester
  参考文献：
  名称：

  Inhibition of liver alcohol dehydrogenase and ethanol metabolism by 3-substituted thiolane 1-oxides

  摘要：

  3-Substituted thiolane 1-oxides (methyl, n-butyl, n-hexyl, and phenyl) were prepared and tested as inhibitors of horse, monkey, and rat liver alcohol dehydrogenases and of ethanol metabolism in rats. These compounds inhibit alcohol oxidation in an uncompetitive manner with respect to ethanol as a varied substrate. Lengthening the alkyl substituent increased the inhibitory potency because of tighter binding in the hydrophobic substrate binding pocket of the alcohol dehydrogenases. Thus, the 3-hexyl derivative was the most potent inhibitor of the purified rat liver alcohol dehydrogenase, with a Kii value of 0.13 microM. The 3-butyl derivative was the best inhibitor of ethanol metabolism in rats, with a Kii value of 11 mumol/kg. The acute toxicity in mice of the butyl derivative was 1.4 mmol/kg. Since high concentrations of alcohol do not prevent the inhibitory effects of these compounds, they may be particularly useful for preventing poisoning by methanol or ethylene glycol.

  DOI：

  10.1021/jm00379a009

文献信息

• [EN] FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES FUSIONNÉS ET LEUR UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2009136663A1

  公开（公告）日：2009-11-12

  The present invention provides a fused heterocyclic derivative having a strong kinase inhibitory activity and use thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强烈激酶抑制活性的融合杂环衍生物及其用途。本发明涉及本说明书中所定义的符号表示的化合物，或其盐。
• HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF
  申请人：Japan Tobacco, Inc.

  公开号：EP1953147A1

  公开（公告）日：2008-08-06

  The present invention aims at providing a novel heterocyclic compound having HCV entry inhibitory activity and the pharmaceutical use thereof. The present invention provides a therapeutic agent for hepatitis C comprising a heterocyclic compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof as an active ingredient: wherein Q1 is -N=, etc., Q2 is -N-, etc., Q3 is -N=, etc., Q4 is -N-, etc., Q5 is -N-, etc., R1 is a hydrogen atom, etc., R2 is a hydrogen atom, etc., ring A is a monocyclic aryl group optionally having substituent(s), etc., and ring B is a monocyclic aryl group optionally having substituent(s), etc.

  本发明旨在提供一种具有HCV进入抑制活性的新型杂环化合物及其药物用途。本发明提供了一种治疗丙型肝炎的治疗剂，其包括以下式[1]所表示的杂环化合物或其药学上可接受的盐作为活性成分：其中Q1为-N=等，Q2为-N-等，Q3为-N=等，Q4为-N-等，Q5为-N-等，R1为氢原子等，R2为氢原子等，环A为单环芳基，可选地具有取代基等，环B为单环芳基，可选地具有取代基等。
• FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF
  申请人：Miyamoto Naoki

  公开号：US20110046169A1

  公开（公告）日：2011-02-24

  The present invention provides a fused heterocyclic derivative having a strong kinase inhibitory activity and use thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强大的激酶抑制活性的熔合杂环衍生物及其使用。本发明涉及一种由式子所表示的化合物，其中每个符号如本说明书中所定义的，或其盐。
• Substituted amine derivatives having anti-hyperlipemia activity
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP0448078A2

  公开（公告）日：1991-09-25

  Substituted amine derivatives represented by the general formula wherein Q is -C-D-E-F-G-M- or -N-H-I-J-K-L- [C, D, E, F, G, H, I, J, K and L are each 0, S, a carbonyl group, -CHRa-, -Rb= or -NRc- (Ra, Rb and Rc are each H or a lower alkyl group), M and N are each an aromatic ring of 5-6 members optionally having a halogen, OH, LN, a lower alkyl group or a lower alkoxy group, provided that L is not 0, S, or -NRc-]; R is a heterocyclic ring of 5-6 members; R1 is H, a lower alkyl group, a lower haloalkyl group, a lower alkenyl group, a lower alkynyl group or a cycloalkyl group; R2, R3, R4, R5 R6 and R7 are each H, a halogen or a lower alkyl group or two of them denote a single bond; R8 and R9 are each F, CF3 or a lower alkyl group or are a cycloalkane in combination thereof; and R10 is H, F, CF3 an acetoxy group, a lower alkyl group or a lower alkoxy group. These compounds inhibit biosynthesis of cholesterol in mammals by inhibiting their squalene epoxidase, and thereby lower their blood cholesterol values. Therefore, these compounds are expected to be effective as an agent for treatment and prophylaxis of diseases caused by excess of cholesterol, for example, obesity, hyperlipemia and arteriosclerosis and heart and encephalic diseases accompanying them.

  由通式代表的取代胺衍生物 其中 Q 为-C-D-E-F-G-M-或-N-H-I-J-K-L-[C、D、E、F、G、H、I、J、K 和 L 各为 0、S、羰基、-CHRa-、-Rb= 或-NRc-(Ra、Rb 和 Rc 各为 H 或低级烷基)、M 和 N 各为 5-6 个芳香环，可选择带有卤素、OH、LN、低级烷基或低级烷氧基，但 L 不得为 0、S 或-NRc-]；R 是由 5-6 个成员组成的杂环；R1是H、低级烷基、低级卤代烷基、低级烯基、低级炔基或环烷基；R2、R3、R4、R5、R6和R7各自是H、卤素或低级烷基，或其中两个表示单键；R8和R9各自是F、CF3或低级烷基，或它们的组合是环烷烃；R10是H、F、CF3、乙酰氧基、低级烷基或低级烷氧基。这些化合物通过抑制哺乳动物体内的角鲨烯环氧化酶来抑制胆固醇的生物合成，从而降低血液中的胆固醇值。因此，这些化合物有望成为治疗和预防胆固醇过多引起的疾病（如肥胖症、高血脂症和动脉硬化以及伴随这些疾病的心脏和脑部疾病）的有效药物。
• CROSSLINKED ORGANOSILICON RESIN, METHOD FOR PRODUCING SAME, AND COSMETIC
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：EP3822303A1

  公开（公告）日：2021-05-19

  An object is to provide a crosslinked organosilicone resin which has a crosslinked structure formed by reacting a silicone or hydrocarbon having an alkenyl group at both ends thereof with a hydrosilyl group-containing organosilicone resin, is soluble with a liquid oil at room temperature, and forms a film by volatilization of the oil, and to provide a method for preparing the same and cosmetics containing the crosslinked organosilicone resin. The present invention provides a crosslinked organosilicone resin represented by the following average composition formula (1):         (R13SiO1/2)a1(R23SiO1/2)a2(R33SiO1/2)a3(R13-p(X1/2)pSiO1/2)a4(R12SiO2/2)b(R1SiO3/2)c(SiO4/2)d     (1) wherein R1 is, independently of each other, a substituted or unsubstituted, monovalent hydrocarbon group having 1 to 30 carbon atoms and having no aliphatic unsaturated bond, R2 is, independently of each other, a polyoxyalkylene-containing group, a polyglycerin-containing group, or a group selected from the groups defined for R1 and at least one of R2 in each of the R23SiO1/2 units is a polyoxyalkylene-containing group or a polyglycerin-containing group, R3 is, independently of each other, an organopolysiloxane-containing group or a group selected from the groups defined for R1 and at least one of R3 in each of the R33SiO1/2 units is an organopolysiloxane-containing group, X is a divalent group represented by the following formula (2) or (3): wherein R4 is, independently of each other, a substituted or unsubstituted, monovalent hydrocarbon group having 1 to 30 carbon atoms and having no aliphatic unsaturated bond, e is an integer of 0≤e≤500 and k is an integer of 0≤k≤5;         -(CH2)2-CfH2f-(CH2)2-     (3) wherein f is an integer of 0≤f≤20; optionally, a part of R2, R3 and X may be a hydroxyl group, a1, a2, a3, a4, b, c, and d satisfy the equations, 0

  本发明的目的是提供一种交联有机硅树脂，其交联结构是由两端具有烯基的硅氧烷或碳氢化合物与含水硅基的有机硅树脂反应形成的，在室温下可溶于液态油，并通过油的挥发形成薄膜，并提供一种制备方法和含有该交联有机硅树脂的化妆品。本发明提供了一种交联有机硅树脂，其平均组成式（1）如下： (R13SiO1/2)a1(R23SiO1/2)a2(R33SiO1/2)a3(R13-p(X1/2)pSiO1/2)a4(R12SiO2/2)b(R1SiO3/2)c(SiO4/2)d (1) 其中 R1 相互独立地为具有 1 至 30 个碳原子且不含脂肪族不饱和键的取代或未取代的单价烃基，R2 相互独立地为含聚氧亚烷基的基团、含聚甘油的基团或选自 R1 所定义的基团的基团，且每个 R23SiO1/2 单元中至少一个 R2 为含聚氧亚烷基的基团或含聚甘油的基团、R3 相互独立地为含有机聚硅氧烷的基团或选自 R1 所定义的基团的基团，且每个 R33SiO1/2 单元中的至少一个 R3 为含有机聚硅氧烷的基团，X 为下式 (2) 或 (3) 所代表的二价基团： 其中 R4 相互独立地为具有 1 至 30 个碳原子且不含脂肪族不饱和键的取代或未取代的单价烃基，e 为 0≤e≤500 的整数，k 为 0≤k≤5 的整数； -(CH2)2-CfH2f-(CH2)2- (3) 其中 f 为 0≤f≤20 的整数； 可选地，R2、R3 和 X 的一部分可以是羟基，a1、a2、a3、a4、b、c 和 d 满足以下等式：0