3-(3-碘苯基)丙酸乙酯 | 121269-65-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(3-碘苯基)丙酸乙酯
• 英文名称: 3-(3-iodophenyl)ethyl propionate
• 英文别名: ethyl 3-(3-iodophenyl)propanoate；3-Iodobenzenepropanoic acid, ethyl ester；3-Iodobenzenepropanoic acid,ethyl ester；Ethyl 3-iododihydrocinnamate
• CAS: 121269-65-6
• 化学式: C₁₁H₁₃IO₂
• 分子量: 304.128
• InChiKey: QPQIWVPJXXOKIM-UHFFFAOYSA-N

物化性质

• 沸点：
  323.5±25.0 °C(Predicted)
• 密度：
  1.541±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-碘苯基)丙酸乙酯 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以81%的产率得到3-(3-碘)苯乙酸
  参考文献：
  名称：

  Iodoaryl analogs of dioctanoylglycerol and 1-oleoyl-2-acetylglycerol as probes for protein kinase C

  摘要：

  Analogues of dioctanoylglycerol (diC8) and 1-oleoyl-2-acetylglycerol (OAG) containing an iodoaryl group have been synthesized and shown to compete with [3H]phorbol dibutyrate [( ([3H]PDBu) for binding to protein kinase C in a crude rat brain preparation. Phorbol diesters have been shown to bind specifically to protein kinase C and the PDBu receptor has been copurified with protein kinase C activity. All three diacylglycerol analogues were comparable to OAG in binding affinity. In an assay of protein kinase C activation, the diC8 analogue was more active than the OAG analogues, thus demonstrating greater structural specificity under the conditions of this assay.

  DOI：

  10.1021/jm00129a014
• 作为产物：
  描述：

  3-(M-氨基苯基)丙酸乙酯 在 盐酸 、 碘 、 potassium iodide 、 sodium nitrite 作用下， 生成 3-(3-碘苯基)丙酸乙酯
  参考文献：
  名称：

  Iodoaryl analogs of dioctanoylglycerol and 1-oleoyl-2-acetylglycerol as probes for protein kinase C

  摘要：

  Analogues of dioctanoylglycerol (diC8) and 1-oleoyl-2-acetylglycerol (OAG) containing an iodoaryl group have been synthesized and shown to compete with [3H]phorbol dibutyrate [( ([3H]PDBu) for binding to protein kinase C in a crude rat brain preparation. Phorbol diesters have been shown to bind specifically to protein kinase C and the PDBu receptor has been copurified with protein kinase C activity. All three diacylglycerol analogues were comparable to OAG in binding affinity. In an assay of protein kinase C activation, the diC8 analogue was more active than the OAG analogues, thus demonstrating greater structural specificity under the conditions of this assay.

  DOI：

  10.1021/jm00129a014

文献信息

• Highly active iridium(i) complexes for the selective hydrogenation of carbon–carbon multiple bonds
  作者：Linsey S. Bennie、Calum J. Fraser、Stephanie Irvine、William J. Kerr、Shalini Andersson、Göran N. Nilsson

  DOI：10.1039/c1cc14367k

  日期：——

  New iridium(I) complexes, bearing a bulky NHC/phosphine ligand combination, have been established as extremely efficient hydrogenation catalysts that can be used at low catalyst loadings, and are compatible with functional groups which are often sensitive to more routinely employed hydrogenation methods.

  已经建立了带有庞大的NHC /膦配体组合的新型铱（I）配合物，作为可以在低催化剂负载量下使用的极其有效的氢化催化剂，并且与通常对更常用的氢化方法敏感的官能团相容。
• Methods of using .alpha.-phosphonosulfonate squalene synthetase
  申请人：Bristol-Myers Squibb Company

  公开号：US05470845A1

  公开（公告）日：1995-11-28

  .alpha.-Phosphonosulfonate compounds are provided which inhibit the enzyme squalene synthetase and thereby inhibit cholesterol biosynthesis. These compounds have the formula ##STR1## wherein R.sup.2 is OR.sup.5 or R.sup.5a ; R.sup.3 and R.sup.5 are independently H, alkyl, arylalkyl, aryl or cycloalkyl; R.sup.5a is H, alkyl, arylalkyl or aryl; R.sup.4 is H, alkyl, aryl, arylalkyl, or cycloalkyl;, Z is H, halogen, lower alkyl or lower alkenyl; and R.sup.1 is a lipophilic group which contains at least 7 carbons and is alkyl, alkenyl, alkynyl, mixed alkenyl-alkynyl, aryl, arylalkyl, cycloalkyl, cycloalkylalkyl, heteroaryl, heteroarylalkyl, cycloheteroalkyl, cycloheteroalkylalkyl; as further defined above; including pharmaceutically acceptable salts and or prodrug esters of the phosphonic (phosphinic) and/or sulfonic acids.

  提供了抑制酶角鲨烯合酶并从而抑制胆固醇生物合成的.alpha.-磷酸磺酸酯化合物。这些化合物的化学式为##STR1##其中R.sup.2为OR.sup.5或R.sup.5a；R.sup.3和R.sup.5独立地为H、烷基、芳基烷基、芳基或环烷基；R.sup.5a为H、烷基、芳基烷基或芳基；R.sup.4为H、烷基、芳基、芳基烷基或环烷基；Z为H、卤素、低烷基或低烯基；R.sup.1为至少含有7个碳原子的疏水基团，为烷基、烯基、炔基、混合烯基-炔基、芳基、芳基烷基、环烷基、环烷基烷基、杂环芳基、杂环芳基烷基、环杂环烷基、环杂环烷基烷基；如上所述；包括磷酸(亚磷酸)和/或磺酸的药用可接受盐和/或前药酯。
• 4-Alkyloxyimino Derivatives of Uridine-5′-triphosphate: Distal Modification of Potent Agonists as a Strategy for Molecular Probes of P2Y₂, P2Y₄, and P2Y₆ Receptors
  作者：P. Suresh Jayasekara、Matthew O. Barrett、Christopher B. Ball、Kyle A. Brown、Eva Hammes、Ramachandran Balasubramanian、T. Kendall Harden、Kenneth A. Jacobson

  DOI：10.1021/jm500367e

  日期：2014.5.8

  Extended N4-(3-arylpropyl)oxy derivatives of uridine-5′-triphosphate were synthesized and potently stimulated phospholipase C stimulation in astrocytoma cells expressing G protein-coupled human (h) P2Y receptors (P2YRs) activated by UTP (P2Y2/4R) or UDP (P2Y6R). The potent P2Y4R-selective N4-(3-phenylpropyl)oxy agonist was phenyl ring-substituted or replaced with terminal heterocyclic or naphthyl rings

  合成了尿苷-5'-三磷酸的扩展N 4 -（3-芳基丙基）氧基衍生物，并在星形细胞瘤细胞中有效刺激磷脂酶 C 刺激，该细胞表达 G 蛋白偶联的人 (h) P2Y 受体 (P2YRs)，由 UTP (P2Y 2/ 4 R) 或 UDP (P2Y 6 R)。有效的 P2Y 4 R-选择性N 4 -(3-苯基丙基)氧基激动剂被苯环取代或被末端杂环或萘基环取代，同时保留了 P2YR 效力。对于两个核碱基均被取代的二核苷四磷酸激动剂，未观察到对远端区域空间位阻的这种广泛耐受性。有效的N 4 -(3-(4-甲氧基苯基)-丙基)氧基类似物19 (EC 50 : P2Y 2 R, 47 nM; P2Y 4 R, 23 nM) 被功能化用于链延伸，使用荧光团的点击束缚作为辅基。的BODIPY 630/650缀合物28（MRS4162）显示出EC 50个的70值，66，和23 nM的在hP2Y 2/4/6分别Rs时，和特异性标记细胞中表达P2Y
• 一种唑类化合物的制备方法
  申请人：湖南华腾制药有限公司

  公开号：CN107778259A

  公开（公告）日：2018-03-09

  本发明公开了一种唑类化合物N‑((5‑(3‑碘苯基)‑2H‑1,2,4‑三唑‑3‑基)甲基)‑N‑丙基丙‑1‑胺的制备方法，以3‑(3‑碘苯基)丙烯酸乙酯为起始原料，经过还原、酰化、亚胺化、关环、脱Boc、烷基化反应得到目标产物7，本发明产物作为模板小分子来合成多种多样的化合物库。
• 一种含碘三唑化合物的制备方法
  申请人：湖南华腾制药有限公司

  公开号：CN107778258A

  公开（公告）日：2018-03-09

  本发明公开了一种含碘三唑化合物N‑((5‑(3‑碘苯基)‑2H‑1,2,4‑三唑‑3‑基)甲基)‑N‑丙基丙‑1‑胺的制备方法，以3‑(3‑碘苯基)丙烯酸乙酯为起始原料，经过还原、酰化、亚胺化、关环、脱Boc、烷基化反应得到目标产物7，本发明产物作为模板小分子来合成多种多样的化合物库。