(1R,3R)-5'-chloro-3-methyl-2,3,4,9-tetrahydrospiro[β-carboline-1,3'-indol]-2'(1'H)-one | 1235587-45-7

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: (1R,3R)-5'-chloro-3-methyl-2,3,4,9-tetrahydrospiro[β-carboline-1,3'-indol]-2'(1'H)-one
• 英文别名: (3R,3'R)-5-chloro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
• CAS: 1235587-45-7
• 化学式: C₁₉H₁₆ClN₃O
• 分子量: 337.809
• InChiKey: QGMFKGFHTXZZHX-GIGQVBGESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  56.9
• 氢给体数：
  3
• 氢受体数：
  2

文献信息

• Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs
  申请人：Codexis, Inc.

  公开号：US10544402B2

  公开（公告）日：2020-01-28

  The present disclosure provides engineered transaminase polypeptides for the production of amines, polynucleotides encoding the engineered transaminases, host cells capable of expressing the engineered transaminases, and methods of using the engineered transaminases to prepare compounds useful in the production of active pharmaceutical agents.

  本公开提供了用于生产胺的工程化转氨酶多肽、编码工程化转氨酶的多核苷酸、能够表达工程化转氨酶的宿主细胞，以及使用工程化转氨酶制备用于生产活性药剂的化合物的方法。
• BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS
  申请人：Codexis, Inc.

  公开号：US20150072383A1

  公开（公告）日：2015-03-12

  The present disclosure provides engineered transaminase polypeptides for the production of amines, polynucleotides encoding the engineered transaminases, host cells capable of expressing the engineered transaminases, and methods of using the engineered transaminases to prepare compounds useful in the production of active pharmaceutical agents. The present disclosure provides engineered polypeptides having transaminase activity, polynucleotides encoding the polypeptides, methods of the making the polypeptides, and methods of using the polypeptides for the biocatalytic conversion of ketone substrates to amine products. The present enzymes have been engineered to have one or more residue differences as compared to the amino acid sequence of the naturally occurring transaminase of Vibrio fluvialis . In particular, the transaminases of the present disclosure have been engineered for efficient formation of chiral tryptamine derivatives from its corresponding prochiral ketone substrates.
• US9139821B2
  申请人：——

  公开号：US9139821B2

  公开（公告）日：2015-09-22
• US9388395B2
  申请人：——

  公开号：US9388395B2

  公开（公告）日：2016-07-12
• US9708588B2
  申请人：——

  公开号：US9708588B2

  公开（公告）日：2017-07-18