(4S,7R,8S,11R,18S,22S,25R)-4,18-二[(2S)-丁烷-2-基]-7-甲基-11,25-二(丙烷-2-基)-6,20-二氧杂-13,27-二硫杂-3,10,17,24,29,30,31,32-八氮杂五环[24.2.1.1~5,8~.1~12,15~.1~19,22~]三十二碳-1(28),5(32),12(31),14,19(30),26(29)-六烯-2,9,16,23-四酮 | 81120-73-2

• 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
• 中文名称: (4S,7R,8S,11R,18S,22S,25R)-4,18-二[(2S)-丁烷-2-基]-7-甲基-11,25-二(丙烷-2-基)-6,20-二氧杂-13,27-二硫杂-3,10,17,24,29,30,31,32-八氮杂五环[24.2.1.1~5,8~.1~12,15~.1~19,22~]三十二碳-1(28),5(32),12(31),14,19(30),26(29)-六烯-2,9,16,23-四酮
• 英文名称: patellamide A
• 英文别名: (4S,7R,8S,11R,18S,22S,25R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-11,25-di(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
• CAS: 81120-73-2
• 化学式: C₃₅H₅₀N₈O₆S₂
• 分子量: 742.964
• InChiKey: ZGJIVWQOEHQWLW-SWTUTNCKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  51
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  242
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  在 4-二甲氨基吡啶 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以31 mg的产率得到(4S,7R,8S,11R,18S,22S,25R)-4,18-二[(2S)-丁烷-2-基]-7-甲基-11,25-二(丙烷-2-基)-6,20-二氧杂-13,27-二硫杂-3,10,17,24,29,30,31,32-八氮杂五环[24.2.1.1~5,8~.1~12,15~.1~19,22~]三十二碳-1(28),5(32),12(31),14,19(30),26(29)-六烯-2,9,16,23-四酮
  参考文献：
  名称：

  tell酰胺A的新的全合成。

  摘要：

  通过两种互补的杂环化方法，由噻唑2有效地合成了Patellamide A，形成了噻唑和恶唑啉环。

  DOI：

  10.1021/ol801895y

文献信息

• Azoline compound and azole compound library and method for producing same
  申请人：Suga Hiroaki

  公开号：US10197567B2

  公开（公告）日：2019-02-05

  An object of the present invention is to provide a method of efficiently constructing a library abundant in diversity and also usable for screening of a compound that binds to a target substance having protease activity. The present invention provides a method of constructing an azoline compound library containing two or more azoline compounds having an azoline backbone introduced into at least one of Cys, Ser, Thr, and 2,3-diamino acid, and analogs thereof of Xaa0 of a peptide represented by the following formula (I): A-(Xaa0)n-B  (I) [wherein, m numbers of Xaa0s respectively represent arbitrary amino acids, at least one of which is an amino acid selected from the group consisting of Cys, Ser, Thr, and 2,3-diamino acid, and analogs thereof, m represents an inter selected from 2 to 40, and A and B each independently represent a peptide composed of from 0 to 100 amino acids].

  本发明的目的是提供一种有效构建多样性丰富的化合物库的方法，该化合物库还可用于筛选与具有蛋白酶活性的靶物质结合的化合物。 本发明提供了一种构建唑啉化合物文库的方法，该文库含有两种或两种以上的唑啉化合物，这些唑啉化合物具有引入 Cys、Ser、Thr 和 2,3-二氨基酸中至少一种的唑啉骨架，以及下式（I）代表的肽的 Xaa0 的类似物： A-(Xaa0)n-B (I) [其中，Xaa0s 的 m 个数分别代表任意氨基酸，其中至少一个是选自 Cys、Ser、Thr 和 2,3-二 氨基酸及其类似物组成的组的氨基酸，m 代表选自 2 至 40 的间隔，A 和 B 各自独立地代表由 0 至 100 个氨基酸组成的肽]。
• Azoline Compound and Azole Compound Library and Method for Producing Same
  申请人：Suga Hiroaki

  公开号：US20140113830A1

  公开（公告）日：2014-04-24

  An object of the present invention is to provide a method of efficiently constructing a library abundant in diversity and also usable for screening of a compound that binds to a target substance having protease activity. The present invention provides a method of constructing an azoline compound library containing two or more azoline compounds having an azoline backbone introduced into at least one of Cys, Ser, Thr, and 2,3-diamino acid, and analogs thereof of Xaa 0 of a peptide represented by the following formula (I): A-(Xaa 0 ) n -B  (I) [wherein, m numbers of Xaa 0 s respectively represent arbitrary amino acids, at least one of which is an amino acid selected from the group consisting of Cys, Ser, Thr, and 2,3-diamino acid, and analogs thereof, m represents an inter selected from 2 to 40, and A and B each independently represent a peptide composed of from 0 to 100 amino acids].
• A New Total Synthesis of Patellamide A
  作者：Pablo García-Reynaga、Michael S. VanNieuwenhze

  DOI：10.1021/ol801895y

  日期：2008.10.16

  Patellamide A was efficiently synthesized from thiazole 2 via two complementary heterocyclization approaches to form the thiazole and oxazoline rings.

  通过两种互补的杂环化方法，由噻唑2有效地合成了Patellamide A，形成了噻唑和恶唑啉环。