benzyl N-[6'-(morpholine-4-carbonylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: benzyl N-[6'-(morpholine-4-carbonylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]carbamate
• 化学式: C₃₃H₂₇N₃O₇
• 分子量: 577.6
• InChiKey: AQSYPRVXWPWLIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  43
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• SELF-IMMOLATIVE PROBES FOR ENZYME ACTIVITY DETECTION
  申请人：Enzo Life Sciences, Inc. c/o Enzo Biochem, Inc.

  公开号：US20150191768A1

  公开（公告）日：2015-07-09

  Provided is a compound comprising the structure: (SIG)-(SI-MOD) m . In this compound, SIG is a signaling molecule, SI is a self-immolative structure bound to SIG such that SIG has a reduced signal relative to the signal of SIG without SI, MOD is a moiety bound to SI that is subject to modification by an activator, and m is an integer from 1 to about 10. With this compound, when MOD is modified by an activator, SI is destabilized and self cleaved from SIG such that SIG generates an increased signal. Also provided is a method of determining whether a sample comprises an activator, using the above-described compound. Additionally provided is a method of determining whether a cell comprises a nitroreductase using the above-described compound where nitroreductase is the activator. Further provided is a method of determining whether a mammalian cell is hypoxic using the above-described compound where nitroreductase is the activator. A method of detecting a microorganism that comprises a nitroreductase, using the above-described compound where nitroreductase is the activator, is also provided. Also provided is a method of identifying nitroreductase in a sample, using the above-described compound where nitroreductase is the activator.

  提供的化合物包括结构：(SIG)-(SI-MOD)m。在该化合物中，SIG是一个信号分子，SI是与SIG结合的自解离结构，使得相对于没有SI的SIG，SIG的信号降低，MOD是结合在SI上的一个可以被激活剂修饰的基团，m是一个从1到大约10的整数。使用该化合物，当MOD被激活剂修饰时，SI会不稳定并从SIG中自我裂解，从而使SIG产生增强的信号。此外，提供了一种使用上述化合物确定样品中是否包含激活剂的方法。还提供了一种使用上述化合物确定细胞是否含有亚硝基还原酶的方法，其中亚硝基还原酶是激活剂。进一步提供了一种使用上述化合物确定哺乳动物细胞是否缺氧的方法，其中亚硝基还原酶是激活剂。还提供了一种使用上述化合物检测含有亚硝基还原酶的微生物的方法，其中亚硝基还原酶是激活剂。此外，还提供了一种使用上述化合物在样品中鉴定亚硝基还原酶的方法。
• Self-immolative probes for enzyme activity detection
  申请人：ENZO LIFE SCIENCES, INC.

  公开号：US10718005B2

  公开（公告）日：2020-07-21

  Provided is a compound having the structure: (SIG)-(SI-MOD)m where SIG is a signaling molecule, SI is a self-immolative structure bound to SIG such that SIG has a reduced signal relative to the signal of SIG without SI, MOD is a moiety bound to SI that is subject to modification by an activator, and m is an integer from 1 to about 10. When MOD is modified by an activator, SI is destabilized and self-cleaved from SIG such that SIG generates an increased signal. Also provided are methods of determining whether a sample, such as a cell, comprises an activator, such as a nitroreducase, using the compound. Further provided are methods of determining whether a mammalian cell is hypoxic using the compound where nitroreductase is the activator. A method of detecting a microorganism that comprises a nitroreductase using the compound where nitroreductase is the activator is also provided.

  本文提供了一种具有以下结构的化合物： (SIG)-(SI-MOD)m 其中，SIG 是信号分子，SI 是与 SIG 结合的自惰性结构，这样 SIG 的信号相对于不含 SI 的 SIG 的信号会减弱，MOD 是与 SI 结合的可被活化剂修饰的分子，m 是 1 到 10 之间的整数。当 MOD 被活化剂修饰时，SI 会失去稳定性并从 SIG 中自裂解，从而使 SIG 产生增加的信号。还提供了利用该化合物确定样品（如细胞）是否包含活化剂（如硝基还原酶）的方法。还提供了使用该化合物（其中硝基还原酶是激活剂）确定哺乳动物细胞是否缺氧的方法。还提供了一种使用硝基还原酶为活化剂的化合物检测包含硝基还原酶的微生物的方法。
• Self-Immolative Probes for Enzyme Activity Detection
  申请人：ENZO LIFE SCIENCES, INC., C/O ENZO BIOCHEM, INC.

  公开号：US20170137863A1

  公开（公告）日：2017-05-18

  Provided is a compound having the structure: (SIG)-(SI-MOD) m where SIG is a signaling molecule, SI is a self-immolative structure bound to SIG such that SIG has a reduced signal relative to the signal of SIG without SI, MOD is a moiety bound to SI that is subject to modification by an activator, and m is an integer from 1 to about 10. When MOD is modified by an activator, SI is destabilized and self-cleaved from SIG such that SIG generates an increased signal. Also provided are methods of determining whether a sample, such as a cell, comprises an activator, such as a nitroreducase, using the compound. Further provided are methods of determining whether a mammalian cell is hypoxic using the compound where nitroreductase is the activator. A method of detecting a microorganism that comprises a nitroreductase using the compound where nitroreductase is the activator is also provided.
• US8828678B2
  申请人：——

  公开号：US8828678B2

  公开（公告）日：2014-09-09
• US9574222B2
  申请人：——

  公开号：US9574222B2

  公开（公告）日：2017-02-21