ethyl (2E)-3-amino-4-methyl-2-pentenoate | 372120-74-6

• 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: ethyl (2E)-3-amino-4-methyl-2-pentenoate
• 英文别名: ethyl 3-amino-4-methyl-2-pentenoate；ethyl 3-amino-3-isopropylacrylate；ethyl (E)-3-amino-4-methylpent-2-enoate
• CAS: 372120-74-6
• 化学式: C₈H₁₅NO₂
• 分子量: 157.213
• InChiKey: AEXYGJRYLCZIJM-FNORWQNLSA-N

物化性质

• 沸点：
  242.0±13.0 °C(Predicted)
• 密度：
  0.973±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl (2E)-3-amino-4-methyl-2-pentenoate 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 17.75h， 生成 9-(3-bromo-4-fluorophenyl)-3,3-dimethyl-5,9-dihydro-3H-furo[3,4-b]pyrano[4,3-e]pyridine-1,8(4H,7H)-dione
  参考文献：
  名称：

  Effects of Substitution on 9-(3-Bromo-4-fluorophenyl)-5,9-dihydro-3H,4H-2,6-dioxa-4- azacyclopenta[b]naphthalene-1,8-dione, a Dihydropyridine ATP-Sensitive Potassium Channel Opener

  摘要：

  Structure-activity relationships were investigated on the tricyclic dihydropyridine ( DHP) K-ATP openers 9-(3-bromo-4-fluorophenyl)-5,9- dihydro-3H, 4H-2,6-dioxa-4-azacyclopenta[ b] naphthalene-1,8-dione ( 6) and 10( 3-bromo-4-fluorophenyl)-9,10-dihydro-1H, 8H-2,7-dioxa-9-azaanthracene-4,5-dione ( 65). Substitution off the core of the DHP, absolute stereochemistry, and aromatic substitution were evaluated for KATP channel activity using Ltk-cells stably transfected with the Kir6.2/SUR2B exon 17- splice variant and in an electrically stimulated pig bladder strip assay. A select group of compounds was evaluated for in vitro inhibition of spontaneous bladder contractions. Several compounds were found to have the unique characteristic of partial efficacy in both the cell-based and electrically stimulated bladder strip assays but full efficacy in inhibiting spontaneous bladder strip contractions. For compound 23b, this profile was mirrored in vivo where it was fully efficacious in inhibiting spontaneous myogenic bladder contractions but only partially able to reduce neurogenically mediated reflex bladder contractions.

  DOI：

  10.1021/jm060549u
• 作为产物：
  描述：

  异丁酰乙酸乙酯 在 氨 作用下， 以 乙醇 为溶剂， 生成 ethyl (2E)-3-amino-4-methyl-2-pentenoate
  参考文献：
  名称：

  Pyrano, piperidino, and thiopyrano compounds and methods of use

  摘要：

  本发明提供了一种公式I的新化合物，可能在超极化细胞膜、打开钾通道、放松平滑肌细胞和抑制膀胱收缩方面有用。

  公开号：

  US06642222B2

文献信息

• Pyrano, piperidino, and thiopyrano compounds and methods of use
  申请人：Abbott Laboratories

  公开号：US06642222B2

  公开（公告）日：2003-11-04

  The present invention provides novel compounds of formula I which may be useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions.

  本发明提供了一种公式I的新化合物，可能在超极化细胞膜、打开钾通道、放松平滑肌细胞和抑制膀胱收缩方面有用。
• Cycloalka[b]pyridine-3-carbonylguanidine derivatives, process for producing the same, and drugs containing the same
  申请人：Toa Eiyo Ltd.

  公开号：US06258829B1

  公开（公告）日：2001-07-10

  This invention relates to a cycloalka[b]pyridine-3-carbonylguanidine derivative represented by the following general formula (1): and a salt thereof, which can provide a drug having sodium/proton (Na+/H+) exchange transport inhibitory action.

  这项发明涉及一种由以下一般式（1）表示的环烷基吡啶-3-羰基胍衍生物及其盐，该物质可以提供具有钠/质子（Na+/H+）交换转运抑制作用的药物。
• Synthesis of d3-cerivastatin for use as internal standard in a LC/MS/MS method developed for quantitation of the drug in human serum
  作者：Bang-Chi Chen、Mark S. Bednarz、Huiping Zhang、Peng Guo、Mohammed Jemal、Jeffrey A. Robl、Scott A. Biller、Joseph E. Sundeen、Balu Balasubramanian、Joel C. Barrish

  DOI：10.1002/jlcr.1050

  日期：2006.3.30

  d3-Cerivastatin was synthesized as an internal standard for use in a LC/MS/MS method developed for the simultaneous quantitative determination of the drug in human serum. d3-Cerivastatin was efficiently prepared on large scale from d3-iodomethane using improved procedures. Copyright © 2006 John Wiley & Sons, Ltd.

  d3 -塞伐司他汀被合成为一种内标物，用于 LC/MS/MS 方法，该方法是为同时定量测定人血清中的药物而开发的。Copyright © 2006 John Wiley & Sons, Ltd. All Rights Reserved.
• Pyrano piperidino and thiopyrano compounds and methods of use
  申请人：——

  公开号：US20030055035A1

  公开（公告）日：2003-03-20

  1 The present invention provides novel compounds of formula I which may be useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions.

  本发明提供了一种新型的化合物I，可用于超极化细胞膜、打开钾通道、放松平滑肌细胞和抑制膀胱收缩。
• CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME
  申请人：TOA EIYO LTD.

  公开号：EP0972767A1

  公开（公告）日：2000-01-19

  This invention relates to a cycloalka[b]pyridine-3-carbonylguanidine derivative represented by the following general formula (1) : [wherein R1 is hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group, an amino lower alkyl group, a lower alkoxyalkyl group, an aryl group, a heterocyclic group, an aralkyl group, a phenoxy lower alkyl group or an aralkyloxy lower alkyl group; R2 is hydrogen atom, a halogen atom, a lower alkoxy group or a nitro group; A is a single bond or a vinylene group; B is a vinylene or the like group; D is a single bond, a methylene group or an ethylene group; and E is a vinylene or the like group] and a salt thereof, which can provide a drug having sodium/proton (Na+/H+) exchange transport inhibitory action.

  本发明涉及一种由以下通式(1)代表的环烷[b]吡啶-3-羰基胍衍生物： [其中 R1 是氢原子、卤素原子、低级烷基、低级烷氧基、氨基低级烷基、低级烷氧基烷基、芳基、杂环基、芳烷基、苯氧基低级烷基或芳氧基低级烷基；R2 是氢原子、卤素原子、低级烷氧基或硝基；A 是单键或乙烯基；B 是乙烯基或类似基团；D 是单键、亚甲基或亚乙基；E 是乙烯基或类似基团]及其盐，可提供一种具有钠/质子（Na+/H+）交换转运抑制作用的药物。