7-Methoxy-tryptophan | 16979-62-7

• 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: 7-Methoxy-tryptophan
• 英文别名: 2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid
• CAS: 16979-62-7
• 化学式: C₁₂H₁₄N₂O₃
• 分子量: 234.255
• InChiKey: MUZROTSTMQSBFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  88.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-Methoxy-tryptophan 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 5-(7-Methoxy-1H-indol-3-ylmethyl)-3-methyl-2-thioxo-imidazolidin-4-one
  参考文献：
  名称：

  Structure–activity relationship study of novel necroptosis inhibitors

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism that results in morphological features resembling necrosis. It can be induced in a FADD-deficient variant of human Jurkat T cells treated with TNF-alpha. 5-(1H-Indol-3-ylmethyl)-2-thiohydantoins and 5-(1H-indol-3-ylmethyl)hydantoins were found to be potent necroptosis inhibitors (called necrostatins). A SAR study revealed that several positions of the indole were intolerant of substitution, while small substituents at the 7-position resulted in increased inhibitory activity. The hydantoin ring was also quite sensitive to structural modifications. A representative member of this compound class demonstrated moderate pharmacokinetic characteristics and readily entered the central nervous system upon intravenous administration. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.077
• 作为产物：
  描述：

  Diethyl-α-formamido-7-methoxyskatylmalonat 在 盐酸 、 sodium hydroxide 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 7-Methoxy-tryptophan
  参考文献：
  名称：

  Structure–activity relationship study of novel necroptosis inhibitors

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism that results in morphological features resembling necrosis. It can be induced in a FADD-deficient variant of human Jurkat T cells treated with TNF-alpha. 5-(1H-Indol-3-ylmethyl)-2-thiohydantoins and 5-(1H-indol-3-ylmethyl)hydantoins were found to be potent necroptosis inhibitors (called necrostatins). A SAR study revealed that several positions of the indole were intolerant of substitution, while small substituents at the 7-position resulted in increased inhibitory activity. The hydantoin ring was also quite sensitive to structural modifications. A representative member of this compound class demonstrated moderate pharmacokinetic characteristics and readily entered the central nervous system upon intravenous administration. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.077

文献信息

• [EN] HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS<br/>[FR] BIOCATALYSEURS DE NITRATION AUTO-SUFFISANTS HAUTEMENT ACTIFS
  申请人：UNIV FLORIDA

  公开号：WO2018081456A1

  公开（公告）日：2018-05-03

  The disclosure relates to the field of fusion proteins. In some aspects, the disclosure relates to artificial fusion proteins comprising cytochrome P450 enzymes linked to reductase enzymes and uses thereof. In some aspects, the disclosure relates to compounds produced by artificial cytochrome P450 enzymes.

  该披露涉及融合蛋白的领域。在某些方面，该披露涉及人工融合蛋白，其中包括与还原酶酶相连的细胞色素P450酶，并其用途。在某些方面，该披露涉及由人工细胞色素P450酶产生的化合物。
• [EN] AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS<br/>[FR] DERIVES D'AMINOACIDES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA NEP, L'ACE ET L'ECE
  申请人：INST NAT RECH MEDICALE INSERM

  公开号：WO2001060822A1

  公开（公告）日：2001-08-23

  Composés de formule (I) dans laquelle: 0≤n≤3; 0≤m≤6; R3 et R4 forment ensemble un noyau phényle; B représente un groupement hétéroaryle; R1 et R2 représentent un atome d'hydrogène ou des groupements tels que définis dans la description.

  该句子的中文翻译为： “化合物的化学式为（I），其中：0≤n≤3；0≤m≤6；R3和R4共同形成苯环核；B代表杂环基团；R1和R2代表氢原子或按照描述定义的基团。”
• Novel anti-infective compound
  申请人：Eberhard Karls Universität Tübingen

  公开号：EP3072899A1

  公开（公告）日：2016-09-28

  The invention relates to novel infective agents, the use thereof for the production of a pharmaceutical composition for the treatment and prophylaxes of a disease, preferably an infectious disease, a pharmaceutical composition comprising said compound, and to methods of producing said compounds.

  本发明涉及新型感染性制剂、利用其生产治疗和预防疾病（最好是传染病）的药物组合物、包含所述化合物的药物组合物以及生产所述化合物的方法。
• Anti-infective compound
  申请人：Eberhard Karls Universitaet Tuebingen

  公开号：US10774113B2

  公开（公告）日：2020-09-15

  The invention relates to novel infective agents, the use thereof for the production of a pharmaceutical composition for the treatment and prophylaxes of a disease, preferably an infectious disease, a pharmaceutical composition comprising said compound, and to methods of producing said compounds. The invention further relates to a new probiotic configured for preventing or reducing the colonization by a pathogenic microorganism of an organ of a living being.

  本发明涉及新型感染性制剂，利用其生产治疗和预防疾病（最好是传染病）的药物组合物，包含所述化合物的药物组合物，以及生产所述化合物的方法。本发明还涉及一种新的益生菌，用于防止或减少病原微生物在生物器官中的定植。
• Doig et al., Journal of the Chemical Society, 1952, p. 3912,3915
  作者：Doig et al.

  DOI：——

  日期：——