3-aminohept-2-enoic acid ethyl ester | 372120-72-4

• 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: 3-aminohept-2-enoic acid ethyl ester
• 英文别名: ethyl (2E)-3-amino-2-heptenoate；ethyl (E)-3-aminohept-2-enoate
• CAS: 372120-72-4
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: SKOURRNNESBPHU-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  3-aminohept-2-enoic acid ethyl ester 在 吡啶 、 pyridinium hydrobromide perbromide 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 16.58h， 生成 trans-9-(3,4-dichlorophenyl)-3-propyl-5,9-dihydro-3H,4H-2,6-dioxa-4-azacyclopenta[b]naphthalene-1,8-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：

  3-氧代庚酸乙酯 在 ammonium hydroxide 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 3-aminohept-2-enoic acid ethyl ester
  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

文献信息

• [EN] PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSES PYRANO, PIPERIDINO ET THIOPYRANO ET TECHNIQUES D'UTILISATION
  申请人：ABBOTT LAB

  公开号：WO2001083484A1

  公开（公告）日：2001-11-08

  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的化合物公式(I)，可能在超极化细胞膜、开放钾通道、放松平滑肌细胞和抑制膀胱收缩方面有用。
• CELERIER J.-P.; DELOISY E.; KAPRON P.; LHOMMET G.; MAITTE P., SYNTHESIS, 1981, NO 2, 130-133
  作者：CELERIER J.-P.、 DELOISY E.、 KAPRON P.、 LHOMMET G.、 MAITTE P.

  DOI：——

  日期：——
• VISWANATHAN N.; RAVINDRANATH K. R.; TALWALKAR P. K., INDIAN J. CHEM., 1979, B17, NO 5, 478-482
  作者：VISWANATHAN N.、 RAVINDRANATH K. R.、 TALWALKAR P. K.

  DOI：——

  日期：——
• PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE
  申请人：Abbott Laboratories

  公开号：EP1278747A1

  公开（公告）日：2003-01-29