tert-butyl 3-[2-acetamido-3-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[(2S)-1-methoxy-1-oxopent-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-oxopropyl]-6-prop-2-enylcarbazole-9-carboxylate | 484024-05-7

• 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: tert-butyl 3-[2-acetamido-3-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[(2S)-1-methoxy-1-oxopent-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-oxopropyl]-6-prop-2-enylcarbazole-9-carboxylate
• CAS: 484024-05-7
• 化学式: C₅₁H₆₇N₇O₁₀S
• 分子量: 970.2
• InChiKey: BIJGFKKBNWDLJZ-UCHUAQGBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  69
• 可旋转键数：
  22
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  247
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-[2-acetamido-3-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[(2S)-1-methoxy-1-oxopent-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-oxopropyl]-6-prop-2-enylcarbazole-9-carboxylate 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 反应 23.0h， 生成
  参考文献：
  名称：

  Synthesis of carbazole-linked cyclic and acyclic peptoids with antibacterial activity

  摘要：

  This paper describes the synthesis of several novel cyclic and acyclic peptoids, the former structurally comprising a tripeptide moiety linked through a carbazole scaffold. In a key step, a ring-closing metathesis reaction was used giving efficient access to this new class of cyclic peptoids. The target compounds were tested against Staphylococcus aureus (ATCC 6538P) and their minimum inhibitory concentration (MIC) values were determined. These compounds showed moderate to poor activities with MIC values ranging from 15-250 mug/mL. (C) 2003 Elsevier Ltd. All richts reserved.

  DOI：

  10.1016/j.tet.2003.09.034
• 作为产物：
  描述：

  4-溴苯肼盐酸盐 在 palladium dichloride 4-二甲氨基吡啶 、 lithium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 3 A molecular sieve 、 sodium hydride 、 caesium carbonate 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三苯基膦 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 四氯化碳 、 二氯甲烷 、 环己烷 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 乙腈 、 苯 为溶剂， 反应 128.75h， 生成 tert-butyl 3-[2-acetamido-3-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[(2S)-1-methoxy-1-oxopent-4-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-oxopropyl]-6-prop-2-enylcarbazole-9-carboxylate
  参考文献：
  名称：

  Synthesis of carbazole-linked cyclic and acyclic peptoids with antibacterial activity

  摘要：

  This paper describes the synthesis of several novel cyclic and acyclic peptoids, the former structurally comprising a tripeptide moiety linked through a carbazole scaffold. In a key step, a ring-closing metathesis reaction was used giving efficient access to this new class of cyclic peptoids. The target compounds were tested against Staphylococcus aureus (ATCC 6538P) and their minimum inhibitory concentration (MIC) values were determined. These compounds showed moderate to poor activities with MIC values ranging from 15-250 mug/mL. (C) 2003 Elsevier Ltd. All richts reserved.

  DOI：

  10.1016/j.tet.2003.09.034