2-[(4-乙氧基苯氧基)甲基]环氧乙烷 | 18110-26-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-[(4-乙氧基苯氧基)甲基]环氧乙烷
• 英文名称: 2-((4-ethyoxyphenoxy)methyl)oxirane
• 英文别名: 2-((4-ethoxyphenoxy)methyl)oxirane；(4-ethoxy-phenoxymethyl)-oxirane；2-[(4-Ethoxyphenoxy)methyl]oxirane
• CAS: 18110-26-4
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD06655042
• 分子量: 194.23
• InChiKey: RXBYVUJCNJKSEO-UHFFFAOYSA-N

物化性质

• 沸点：
  302.7±12.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  31
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2910900090

反应信息

• 作为反应物：
  描述：

  2-[(4-乙氧基苯氧基)甲基]环氧乙烷 在 三乙烯二胺 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 5.0h， 生成 Tert-butyl 3-[3-(4-ethoxyphenoxy)-2-oxopropyl]sulfanylpropanoate
  参考文献：
  名称：

  Design and Synthesis of a Novel and Potent Series of Inhibitors of Cytosolic Phospholipase A₂ Based on a 1,3-Disubstituted Propan-2-one Skeleton

  摘要：

  Using knowledge of the substrate specificity of cPLA(2) (phospliolipases A(2)), a novel series of inhibitors of this enzyme were designed based upon a three point model of inhibitor binding to the enzyme active site comprising a lipophilic anchor, an electrophilic serine "trap", and an acidic binding moiety. The resulting 1,3-diheteroatom-substituted propan-2-ones were evaluated as inhibitors of cPLA2 in both aggregated bilayer and soluble substrate assays. Systematic variation of the lipophilic, electrophilic, and acidic groups revealed a well-defined structure-activity relationship against the enzyme. Optimization of each group led to compound 22 (ARC70484XX), which contains a decyloxy lipophilic side chain, a 1,3-diaryloxypropan-2-one moiety as a unique serine trap, and a benzoic acid as the acidic binding group. AR-C70484XX was found to be among the most potent in vitro inhibitors of cPLA2, described to date being more than 20-fold more active against the isolated enzyme (IC50 = 0.03 muM) than the standard CPLA(2) inhibitor, arachidonyl trifluoromethyl ketone (AACOCF(3)), and also greater than 10-fold more active than AACOCF3 against the cellular production of arachidonic acid by HL60 cells (IC50 = 2.8 muM).

  DOI：

  10.1021/jm011050x
• 作为产物：
  描述：

  4-苄氧基苯酚 在 palladium on activated charcoal 氢氧化钾 、 氢气 、 potassium carbonate 、 sodium iodide 作用下， 以 乙醇 、 丙酮 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 48.0h， 生成 2-[(4-乙氧基苯氧基)甲基]环氧乙烷
  参考文献：
  名称：

  β1- and β2-Adrenoceptor antagonist activity of a series of para-substituted N-isopropylphenoxypropanolamines

  摘要：

  To further explore the structure-activity relationships of beta-adrenoceptor (beta-AR) antagonists, a series of 25 para-substituted N-isopropylphenoxy-propanolamines were synthesised, nine of which are new compounds. All have been examined for their ability to antagonise beta(1)-ARs in rat atria and beta(2)-ARs in rat trachea. Substitution in the para-position of the phenyl ring is thought to confer B-3-specificity and the selectivity of these compounds for the beta(1)-AR ranges from 1.5-234. None of the compounds tested were selective for the beta(2)-AR. Of the 25 compounds studied, 22 had reasonable (pA(2) > 7) potencies for the rat beta(1)-AR. Only compound I displayed reasonable (pA(2) > 7) potency for the rat beta(2)-AR. Twenty two compounds were used as the training set for comparative molecular field analysis (CoMFA) of antagonist potency (pA(2)) at the rat beta(1)- and beta(2)-ARs. The inclusion of a number of additional physical characteristics improved the QSAR analysis over models derived solely using the CoMFA electrostatic and steric fields. The final models predicted the beta(1)- and beta(2)-AR potency of the compounds in the training set with high accuracy (r(2) = 0.93 and 0.86 respectively). The final beta(1)-AR model predicted the beta(1)-potencies of two out of the three test compounds, not included in the training set, with residual pA(2) values < -0.14, whereas the test compounds were not as well predicted by our final beta(2)-AR model (residual pA(2) values < -0.38). (C) 1999 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(99)00114-2

文献信息

• Method for Treating Scleroderma
  申请人：The Regents of the University of Colorado, A body corporate

  公开号：US20150087682A1

  公开（公告）日：2015-03-26

  The present invention provides a method for treating scleroderma by administering a therapeutically effective amount of a toll like receptor 4 inhibitor to a subject in need of such a treatment.

  本发明提供了一种治疗硬皮病的方法，通过向需要此类治疗的受试者施用治疗有效量的Toll样受体4抑制剂。
• TOLL-LIKE RECEPTOR MODULATORS AND USES THEREOF
  申请人：Yin Hang

  公开号：US20120178774A1

  公开（公告）日：2012-07-12

  The present invention provides a compound selected from the group consisting of: where n, m, X 1 , X 2 , X 3 , X 4 , R 1 , R 2 , R 3 , R 11 , R 12 , Y 1 , Y 2 , Y 3 , Y 4 , and Y 5 are those defined herein. Some aspects of the invention also provides methods for using these compounds and compositions comprising the same.

  本发明提供了从以下组中选择的化合物：其中n，m，X1，X2，X3，X4，R1，R2，R3，R11，R12，Y1，Y2，Y3，Y4和Y5如本文所定义。本发明的某些方面还提供了使用这些化合物的方法和包含它们的组合物。
• Toll-like receptor modulators and uses thereof
  申请人：Yin Hang

  公开号：US08642614B2

  公开（公告）日：2014-02-04

  The present invention provides a compound of the formula: where n, m, X1, X2, X3, X4, R1, R2 and R3 are those defined herein. Some aspects of the invention also provides methods for using these compounds and compositions comprising the same.

  本发明提供了一个化合物的公式：其中n，m，X1，X2，X3，X4，R1，R2和R3如本文所定义。本发明的某些方面还提供了使用这些化合物的方法和包含相同化合物的组合物。
• FLUOROPOLYETHER COMPOUND, AND LUBRICANT AND MAGNETIC DISC COMPRISING SAME
  申请人：Moresco Corporation

  公开号：EP3081549A1

  公开（公告）日：2016-10-19

  A compound of the formula (1), lubricant containing the compound and magnetic disk         R1-C6H4O-CH2CH(OH)CH2OCH2-R2-CH2-O-CH2CH(OH)CH2-OC6H4-R1     (1) wherein R1 is alkoxyl having 1 to 4 carbon atoms, amino or amido, R2 is -CF2CF2O(CF2CF2CF2O)zCF2CF2- or -CF2CF2CF2O(CF2CF2CF2CF2O)nCF2CF2CF2-, z is a real number of 1 to 15, n is a real number of 0 to 4.

  式 (1) 的化合物、含有该化合物的润滑剂和磁性盘 r1-c6h4o-ch2ch(oh)ch2och2-r2-ch2-o-ch2ch(oh)ch2-oc6h4-r1 (1) 其中 R1 是具有 1 至 4 个碳原子的烷氧基、氨基或氨基，R2 是-CF2CF2O(CF2CF2CF2O)zCF2CF2-或 -CF2CF2CF2O(CF2CF2CF2CF2O)nCF2CF2CF2-，z 是 1 至 15 的实数，n 是 0 至 4 的实数。
• FLUOROPOLYETHER COMPOUND, LUBRICANT, AND MAGNETIC DISK
  申请人：Moresco Corporation

  公开号：EP3162836A1

  公开（公告）日：2017-05-03

  An object of the present invention is to provide a compound that can inactivate active alumina in a magnetic head, a lubricant having decomposition resistance, and a magnetic disk using the lubricant. The present invention relates to a fluoropolyether compound represented by formula (1):         R1-CH2-R2-CH2-R3 wherein R1 is C1-C10 alkoxy; R2 is-(CF2)pO(CF2O)x(CF2CF2O)y(CF2CF2CF2O)z(CF2CF2CF2CF2O)w(CF2)p-; x and y are each a real number of 0 to 30; z is a real number of 0 to 30; w is a real number of 0 to 20; p is an integer of 1 to 3; R3 is-OCH2CH(OH)CH2OH, -OCH2CH(OH)CH2OCH2CH(OH)CH2OH, -O(CH2)mOH, or-OCH2 (OH) CHCH2-OC6H4-R4; m is an integer of 2 to 8; and R4 is hydrogen, C1-C4 alkoxy, amino, or an amide residue; and also relates to a lubricant comprising the compound and to a magnetic disk.

  本发明的目的是提供一种能使磁头中的活性氧化铝失活的化合物、一种具有抗分解性的润滑剂和一种使用该润滑剂的磁盘。本发明涉及一种由式（1）表示的氟聚醚化合物： R1-CH2-R2-CH2-R3 其中 R1 是 C1-C10 烷氧基；R2 是-(CF2)pO(CF2O)x(CF2CF2O)y(CF2CF2CF2O)z(CF2CF2CF2CF2O)w(CF2)p-；x 和 y 分别是 0 至 30 的实数；z 是 0 至 30 的实数；w 是 0 至 20 的实数；p 是 1 至 3 的整数；R3是-OCH2CH(OH)CH2OH、-OCH2CH(OH)CH2OCH2CH(OH)CH2OH、-O(CH2)mOH或-OCH2(OH)CHCH2-OC6H4-R4；m是2至8的整数；R4是氢、C1-C4烷氧基、氨基或酰胺残基；还涉及包含该化合物的润滑剂和磁盘。