(+/-)-3-methylamino-3-phenyl-propionic acid ethyl ester | 39629-54-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (+/-)-3-methylamino-3-phenyl-propionic acid ethyl ester
• 英文别名: (+/-)-3-Methylamino-3-phenyl-propionsaeure-aethylester；Ethyl 3-(methylamino)-3-phenylpropanoate
• CAS: 39629-54-4
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: DBMDBUGTXCKNCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+/-)-3-methylamino-3-phenyl-propionic acid ethyl ester 在 盐酸 作用下， 生成 (S)-3-methylamino-3-phenyl-propionic acid
  参考文献：
  名称：

  Graf; Boeddeker, Justus Liebigs Annalen der Chemie, 1958, vol. 613, p. 111,115

  摘要：

  DOI：
• 作为产物：
  描述：

  苯亚甲基甲胺 在 硫酸 、 苯 作用下， 生成 (+/-)-3-methylamino-3-phenyl-propionic acid ethyl ester
  参考文献：
  名称：

  Rodionow; Jaworskaja, Zhurnal Obshchei Khimii, 1953, vol. 23, p. 983,985; engl. Ausg. S. 1025, 1027

  摘要：

  DOI：

文献信息

• Synthesis and structure-activity relationships of 1-acyl-4-((2-methyl-3-pyridyl)cyanomethyl)piperazines as PAF antagonists
  作者：Elena Carceller、Manuel Merlos、Marta Giral、Carmen Almansa、Javier Bartroli、Julian Garcia-Rafanell、Javier Forn

  DOI：10.1021/jm00072a019

  日期：1993.10

  A second generation of (cyanomethyl)piperazines, 1-acyl-4-((2-methyl-3-pyridyl)cyanomethyl)-piperazines, with increased oral activity was prepared and evaluated in vitro in a PAF-induced platelet aggregation assay (PAG) and in vivo in a PAF-induced hypotension test in normotensive rats (HYP). Oral activity was ascertained through a PAF-induced mortality test in mice (MOR). Attachment of a methyl group at position 2 of our earlier pyridine derivatives resulted in an improvement of 1 order of magnitude or greater in the ID50 of the oral test. Three different types of acyl substituents of similar potency emerge from this work: N-(diphenylmethylamino)acetyl, 3-substituted 3-hydroxy-3-phenylpropionyl, and N-substituted 3-amino-3-phenylpropionyl groups. The most interesting compounds, 26 (UR-12460, PAG IC50 = 0.040 muM, HYP, ID50 = 0.021 mg/kg iv, MOR, ID50 = 0.30 mg/kg po) and 58 (UR- 12519, PAG IC50 = 0.041 muM, HYP, ID50 = 0.015 mg/kg iv, MOR, ID50 = 0.044 mg/kg po), compare favorably with WEB-2086. Compounds 26 and 58 were also tested in active anaphylactic shock (AAS) and endotoxin-induced mortality (EIM) tests. On the basis of these data, compounds 26 and 58 have been selected for further pharmacological development.
• Vegetation dynamics in central european forest ecosystems (near-natural as well as managed) after storm events
  作者：Anton Fischer、Marcus Lindner、Clemens Abs、Petra Lasch

  DOI：10.1007/bf02803188

  日期：2002.3

  All over the world forests and woodlands are damaged or reset to initial stages by fire, insect outbreaks or storms. In Central Europe storm events are the most important natural disturbances affecting stand structures of both natural and managed forests and yet only a few studies exist on long-term forest development following the destruction of the tree layer by a storm. This paper presents a permanent plot study established in 1988 in the Bavarian Forest National Park (SE Germany) on areas, where the tree layer had been destructed by a storm on August 1, 1983. The records concerning (1) floristic composition (spermatophytes, pteridophytes, bryophytes, lichens) and cover degree, (2) location and shape of each tree higher than I meter (height, diameter at breast height) including position of fallen trees and (3) number of seedlings and saplings were taken in 1988, 1993 and 1998. Two windfall areas, situated next to each other in the same broad and flat valley bottom on wet soils under local cold climate conditions (potential as well as recent vegetation: Calamagrostio villosae-Piceetum bazzanietosum) were analyzed, one of them with completely free development after the storm event ("untouched"), the other with dead wood cleared off after the event, but thereafter with free development ("cleared"). The vegetation analysis separated two major trends in vegetation dynamics: (1) On the cleared plots with intensive soil-surface disturbance (removal of the damaged wood) the species composition changed towards pioneer herb vegetation (Rubus sp.), and pioneer forest species (here: birch, Betula pendula and/or B. pubescens) established. Subsequently, vegetation dynamics leading towards clusters of forest ground-layer species composition took place. (2) In untouched stands, where soil-surface disturbances were restricted to pit-and-mound-system created by uprooted trees, the patchiness of forest vegetation increased and a regeneration of mainly terminal tree species (here: Norway spruce, Picea abies) started. Stand development for the next 100 years was simulated using the model FORSKA-M. The model is individual-based and includes competition for light, soil water, and nutrients. The simulations suggest that floristic structures of cleared and untouched plots, respectively, will remain different for several decades, but within one century, the floristic structure becomes rather similar. Major processes in forest ecosystems which can be used to improve forest management and nature conservation practices have been identified based on the results of the case study.
• ?-Ureidokarbons�uren und Dihydrourazile
  作者：Karl Morsch

  DOI：10.1007/bf01518675

  日期：1934.12
• Rodionow; Jaworskaja, Zhurnal Obshchei Khimii, 1953, vol. 23, p. 983,985; engl. Ausg. S. 1025, 1027
  作者：Rodionow、Jaworskaja

  DOI：——

  日期：——
• Graf; Boeddeker, Justus Liebigs Annalen der Chemie, 1958, vol. 613, p. 111,115
  作者：Graf、Boeddeker

  DOI：——

  日期：——