(3R,6R,7S,8E,23S)-6'-chloro-7-hydroxy-12,12-dimethyl-15,15-dioxo-11-(trideuteriomethyl)spiros[20-oxa-15-thia-1,11,14-triazatetracyclo[14.7.2.0^3,6.0^19,24]pentacosa-8,16,18,24-tetraene-22,1'-tetralin]-13-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (3R,6R,7S,8E,23S)-6'-chloro-7-hydroxy-12,12-dimethyl-15,15-dioxo-11-(trideuteriomethyl)spiros[20-oxa-15-thia-1,11,14-triazatetracyclo[14.7.2.0^3,6.0^19,24]pentacosa-8,16,18,24-tetraene-22,1'-tetralin]-13-one
• 英文别名: (3'R,4S,6'R,7'S,8'E)-7-chloro-7'-hydroxy-12',12'-dimethyl-15',15'-dioxo-11'-(trideuteriomethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-15lambda6-thia-1,11,14-triazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-13'-one；(3'R,4S,6'R,7'S,8'E)-7-chloro-7'-hydroxy-12',12'-dimethyl-15',15'-dioxo-11'-(trideuteriomethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-15λ6-thia-1,11,14-triazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-13'-one
• 化学式: C₃₂H₄₀ClN₃O₅S
• 分子量: 617.182
• InChiKey: FFFSEJUHLUJMOV-MTGAKNEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  甲醛-d2 、 (3R,6R,7S,8E,23S)-6'-chloro-7-hydroxy-12,12-dimethyl-15,15-dioxo-spiro[20-oxa-15-thia-1,11,14-triazatetracyclo[14.7.2.0^3,6.0^19,24]pentacosa-8,16,18,24-tetraene-22,1'-tetralin]-13-one 在 氰基硼氘化钠 、 重水 作用下， 以 重水 、 1,2-二氯乙烷 为溶剂， 反应 6.0h， 以89.9%的产率得到(3R,6R,7S,8E,23S)-6'-chloro-7-hydroxy-12,12-dimethyl-15,15-dioxo-11-(trideuteriomethyl)spiros[20-oxa-15-thia-1,11,14-triazatetracyclo[14.7.2.0^3,6.0^19,24]pentacosa-8,16,18,24-tetraene-22,1'-tetralin]-13-one
  参考文献：
  名称：

  WO2020097577A5

  摘要：

  公开号：

  WO2020097577A5

文献信息

• Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein
  申请人：Prelude Therapeutics Incorporated

  公开号：US11130769B2

  公开（公告）日：2021-09-28

  The disclosure is directed to compounds of Formula I Pharmaceutical compositions comprising compounds of Formula I as well as methods of their use and preparation, are also described.

  本公开涉及式 I 的化合物 还描述了包含式 I 化合物的药物组合物及其使用和制备方法。
• Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein
  申请人：Prelude Therapeutics Incorporated

  公开号：US20200148705A1

  公开（公告）日：2020-05-14

  The disclosure is directed to compounds of Formula I Pharmaceutical compositions comprising compounds of Formula I as well as methods of their use and preparation, are also described.
• WO2020097577A5
  申请人：——

  公开号：WO2020097577A5

  公开（公告）日：2022-11-08