3-Indolehydracrylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-Indolehydracrylic acid
• 英文别名: 3-hydroxy-3-(1H-indol-3-yl)propanoic acid
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.21
• InChiKey: HWRVAGPWLQXABS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  73.3
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• Tyrosine phosphatase inhibitors
  申请人：——

  公开号：US20030144338A1

  公开（公告）日：2003-07-31

  A compound of the formula (I): 1 wherein X 1 and X 2 are the same or different and each is a bond or a spacer having 1 to 20 atom(s) in the main chain; one of R 1 and R 2 is a cycle group having substituent(s) selected from 1) an optionally substituted carboxy-C 1-6 alkoxy group and 2) an optionally substituted carboxy-C 1-6 aliphatic hydrocarbon group, wherein the cycle group optionally has additional substituent(s), and the other is an optionally substituted cycle group or a hydrogen atom; and R 3 , R 4 and R 5 are the same or different and each is a hydrogen atom or a substituent, or R 4 may link together with R 3 or R 5 to form an optionally substituted ring; provided that when R 3 is a hydrogen atom, R 4 is a hydrogen atom and R 5 is methyl, X 2 —R 2 is not 4-cyclohexylphenyl; when R 3 is 4-methoxyphenyl, R 4 is a hydrogen atom and R 5 is methyl, X 2 —R 2 is not 4-methoxyphenyl; and when R 1 or R 2 is a hydrogen atom, the adjacent X 1 or X 2 is not a C 1-7 alkylene; or a salt thereof exhibits a protein tyrosine phosphatase inhibitory action and is useful as a prophylactic or therapeutic agent for diabetes or the like.

  式（I）的化合物： 其中X1和X2相同或不同，每个都是主链中具有1至20个原子的键或间隔物； R1和R2中的一个是具有取代基的环基，所述取代基选自1）可选择地取代的羧基-C1-6烷氧基和2）可选择地取代的羧基-C1-6脂肪烃基，其中所述环基可选择地具有额外的取代基，另一个是可选择地取代的环基或氢原子；以及 R3、R4和R5相同或不同，每个是氢原子或取代基，或R4可以与R3或R5结合形成可选择地取代的环； 但是当R3是氢原子时，R4是氢原子且R5是甲基时，X2—R2不是4-环己基苯基；当R3是4-甲氧基苯基，R4是氢原子且R5是甲基时，X2—R2不是4-甲氧基苯基；当R1或R2是氢原子时，相邻的X1或X2不是C1-7烷基； 或其盐具有蛋白酪氨酸磷酸酶抑制作用，并且可用作糖尿病等疾病的预防或治疗剂。
• TYROSINE PHOSPHATASE INHIBITORS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1284260A1

  公开（公告）日：2003-02-19

  A compound of the formula (I):    wherein X1 and X2 are the same or different and each is a bond or a spacer having 1 to 20 atom(s) in the main chain;    one of R1 and R2 is a cycle group having substituent(s) selected from 1) an optionally substituted carboxy-C1-6 alkoxy group and 2) an optionally substituted carboxy-C1-6 aliphatic hydrocarbon group, wherein the cycle group optionally has additional substituent(s), and the other is an optionally substituted cycle group or a hydrogen atom; and    R3, R4 and R5 are the same or different and each is a hydrogen atom or a substituent, or R4 may link together with R3 or R5 to form an optionally substituted ring;    provided that when R3 is a hydrogen atom, R4 is a hydrogen atom and R5 is methyl, X2-R2 is not 4-cyclohexylphenyl; when R3 is 4-methoxyphenyl, R4 is a hydrogen atom and R5 is methyl, X2-R2 is not 4-methoxyphenyl; and when R1 or R2 is a hydrogen atom, the adjacent X1 or X2 is not a C1-7 alkylene; or a salt thereof exhibits a protein tyrosine phosphatase inhibitory action and is useful as a prophylactic or therapeutic agent for diabetes or the like.

  式(I)化合物： 其中 X1 和 X2 相同或不同，且各自为键或在主链中具有 1 至 20 个原子的间隔物； R1 和 R2 中的一个是具有选自 1）任选取代的羧基-C1-6 烷氧基和 2）任选取代的羧基-C1-6 脂肪族烃基的取代基的循环基团，其中循环基团任选具有附加取代基，另一个是任选取代的循环基团或氢原子；以及 R3、R4 和 R5 相同或不同，且各自为氢原子或取代基，或 R4 可与 R3 或 R5 连接形成任选取代的环； 条件是当 R3 是氢原子、R4 是氢原子且 R5 是甲基时，X2-R2 不是 4-环己基苯基；当 R3 是 4-甲氧基苯基、R4 是氢原子且 R5 是甲基时，X2-R2 不是 4-甲氧基苯基；以及当 R1 或 R2 是氢原子时，相邻的 X1 或 X2 不是 C1-7 亚烷基； 或其盐具有蛋白酪氨酸磷酸酶抑制作用，可用作糖尿病或类似疾病的预防或治疗剂。
• METHODS OF DIAGNOSING DISEASE
  申请人：4D Pharma Cork Limited

  公开号：EP3947743A1

  公开（公告）日：2022-02-09
• METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS)
  申请人：Oregon Institute of Science and Medicine

  公开号：US20190391092A1

  公开（公告）日：2019-12-26

  A method for constructing a metabolic profile of a mammalian (such as a human) subject from one of more urine samples from the subject uses magnetic resonance mass spectrometry (MRMS) for the rapid and inexpensive quantitative measurement of at least 4,000 urinary chemical substances in a single analysis. The method for metabolic profiling measures thousands of urinary substances in a urine sample from a mammalian subject in a single assay. Many of these substances can be of mammalian metabolic origin. The measurements of types and amounts of urinary substances can be correlated to assessments of present or future health of the subject.
• US6911468B2
  申请人：——

  公开号：US6911468B2

  公开（公告）日：2005-06-28