C10-PhTX-343 | 130203-17-7

• 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: C10-PhTX-343
• 英文别名: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]decanamide
• CAS: 130203-17-7
• 化学式: C₂₉H₅₃N₅O₃
• 分子量: 519.772
• InChiKey: AKWZWACFPJOPPL-MHZLTWQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  37
• 可旋转键数：
  24
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  129
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  C10-PhTX-343 在 dipotassium hydrogenphosphate 、 N-溴代丁二酰亚胺(NBS) 、 potassium iodide 作用下， 以 甲醇 、 水 为溶剂， 生成 Decanoic acid [(S)-1-{3-[4-(3-amino-propylamino)-butylamino]-propylcarbamoyl}-2-(4-hydroxy-3,5-diiodo-phenyl)-ethyl]-amide
  参考文献：
  名称：

  Synthesis of novel and photolabile philanthotoxin analogs: Glutamate receptor antagonists

  摘要：

  The synthetic methods for 27 novel and photolabile philanthotoxin analogs are described. Most analogs were synthesized by two general methods with modifications of these methods where necessary.

  DOI：

  10.1016/s0040-4020(01)81575-1
• 作为产物：
  描述：

  Boc-O-苄基-L-酪氨酸 在 palladium on activated charcoal 氢气 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 13.0h， 生成 C10-PhTX-343
  参考文献：
  名称：

  Synthesis of novel and photolabile philanthotoxin analogs: Glutamate receptor antagonists

  摘要：

  The synthetic methods for 27 novel and photolabile philanthotoxin analogs are described. Most analogs were synthesized by two general methods with modifications of these methods where necessary.

  DOI：

  10.1016/s0040-4020(01)81575-1

文献信息

• Synthesis of glutamate receptor antagonist philanthotoxin-433 (PhTX-433) and its analogs
  作者：R. Goodnow、K. Konno、M. Niwa、T. Kallimopoulos、R. Bukownik、Deborah Lenares、K. Nakanishi

  DOI：10.1016/s0040-4020(01)85463-6

  日期：——
• Structure-binding relation of philanthotoxins from nicotinic acetylcholine receptor binding assay
  作者：Koji Nakanishi、Xuefei Huang、Hong Jiang、Ying Liu、Kan Fang、Danwen Huang、Seok-Ki Choi、Elizabeth Katz、Mohyee Eldefrawi

  DOI：10.1016/s0968-0896(97)00137-5

  日期：1997.10

  Philanthotoxins are noncompetitive inhibitors of the nicotinic acetylcholine receptor and the Various glutamate receptors. Analogues carrying photoaffinity labels, fluorine atoms for solid-state NMR studies of ligand/receptor interaction, and large head groups such as porphyrins and planar bulky aromatic rings (BIG analogues) for clarifying mode of entry and orientation of analogues in receptors have been synthesized, assayed against the nicotinic acetylcholine receptor, and brief comments are given for the assay results. (C) 1997 Elsevier Science Ltd.
• GOODNOW, R. (JR);KONNO, K.;NIWA, M.;KALLIMOPOULOS, T.;BUKOWNIK, R.;LENARE+, TETRAHEDRON, 46,(1990) N, C. 3267-3286
  作者：GOODNOW, R. (JR)、KONNO, K.、NIWA, M.、KALLIMOPOULOS, T.、BUKOWNIK, R.、LENARE+

  DOI：——

  日期：——
• NAKANISHI, KOJI;GOODNOW, R.;KONNO, K.;NIWA, M.;BUKOWNIK, RUDOLPH;KALLIMOP+, PURE AND APPL. CHEM., 62,(1990) N, C. 1223-1230
  作者：NAKANISHI, KOJI、GOODNOW, R.、KONNO, K.、NIWA, M.、BUKOWNIK, RUDOLPH、KALLIMOP+

  DOI：——

  日期：——
• Synthesis of novel and photolabile philanthotoxin analogs: Glutamate receptor antagonists
  作者：S.-K. Choi、R.A. Goodnow、A. Kalivretenos、G.W. Chiles、S. Fushiya、K. Nakanishi

  DOI：10.1016/s0040-4020(01)81575-1

  日期：1992.6

  The synthetic methods for 27 novel and photolabile philanthotoxin analogs are described. Most analogs were synthesized by two general methods with modifications of these methods where necessary.