N-(3-乙酰基吲哚)-DL-天门冬氨酸 | 32449-99-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-(3-乙酰基吲哚)-DL-天门冬氨酸
• 中文别名: N-(3-吲哚基乙酰基)-DL-天冬氨酸
• 英文名称: indole-3-acetyl-N-aspartic acid
• 英文别名: indole-3-acetyl aspartic acid；Indole-3-acetyl-D,L-aspartic acid；Indole-3-acetyl-L-aspatic acid；Indol-3-acetylaspartic acid；N-indol-3-ylacetyl-DL-aspartic acid；N-Indol-3-ylacetyl-DL-asparaginsaeure；N-(3-INDOLYLACETYL)-DL-ASPARTIC ACID；2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid
• CAS: 32449-99-3
• 化学式: C₁₄H₁₄N₂O₅
• 分子量: 290.276
• InChiKey: VAFNMNRKDDAKRM-UHFFFAOYSA-N

物化性质

• 熔点：
  198 °C (dec.)(lit.)
• 沸点：
  641.7±55.0 °C(Predicted)
• 密度：
  1.478±0.06 g/cm3(Predicted)
• 物理描述：
  Solid
• 稳定性/保质期：
  如果遵照规格使用和储存，则不会分解，也不存在已知危险。应避免与强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  120
• 氢给体数：
  4
• 氢受体数：
  5

安全信息

• WGK Germany：
  3
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340+P312,P305+P351+P338,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为产物：
  描述：

  3-吲哚乙酸 、 二苄基2-氨基琥珀酸酯 、 N,N'-二环己基碳二亚胺 在 四氢呋喃 作用下， 生成 N-(3-乙酰基吲哚)-DL-天门冬氨酸
  参考文献：
  名称：

  THE SYNTHESIS OF INDOLE-3-ACETYL-D,L-ASPARTIC ACID AND RELATED COMPOUNDS

  摘要：

  不可用。

  DOI：

  10.1139/v56-172

文献信息

• Novel antibacterial agents
  申请人：Christensen Burton G.

  公开号：US20090111737A1

  公开（公告）日：2009-04-30

  This invention relates to novel multibinding compounds (agents) that are antibacterial agents. The multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands in their monovalent (i.e., unlinked) state have the ability to bind to a an enzyme involved in cell wall biosynthesis and metabolism, a precursor used in the synthesis of the bacterial cell wall and/or the bacterial cell surface thereby interfere with the synthesis and/or metabolism of the cell wall. In particular the multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands has a ligand domain capable of binding to penicillin binding proteins, a transpeptidase enzyme, a substrate of a transpeptidase enzyme, a beta-lactamase enzyme, pencillinase enzyme, cephalosporinase enzyme, a transglycoslase enzyme, or a transglycosylase enzyme substrate; Preferably, the ligands are selected from the beta lactam or glycopeptide class of antibacterial agents.

  本发明涉及一种新型多结合化合物（药剂），其为抗菌剂。本发明的多结合化合物包括2-10个配体，这些配体通过连接剂或连接剂共价连接，其中每个单价（即未连接）的配体具有结合细胞壁生物合成和代谢酶、合成细菌细胞壁和/或细菌细胞表面的前体的能力，从而干扰细胞壁的合成和/或代谢。特别是，本发明的多结合化合物包括2-10个配体，这些配体通过连接剂或连接剂共价连接，其中每个配体具有能够结合青霉素结合蛋白、横肽酶酶、横肽酶酶底物、β-内酰胺酶酶、青霉素酶酶、头孢菌素酶酶、横链酶酶或横链酶酶底物的配体结构域；最好选择β-内酰胺类或糖肽类抗菌剂作为配体。
• NMR imaging with Mn(II) coordination compositions
  申请人：SALUTAR, INC.

  公开号：EP0308983A2

  公开（公告）日：1989-03-29

  Enhanced T₁ and T₂ relaxation in NMRI is obtained with solutions of non-chelate coordination compounds of the formula: [Mn(II)(H₂O)mA1nA2oA3pA4q]+a(Y,Zr)-a In the formula, A1, A2, A3 and A4 are the same of different amino-substituted carboxylic acid groups having from 2 to 18 carbons; Y and Z are each the same or a different anion of a pharmaceutically acceptable inorganic acid or an organic carboxylic acid having from 2 to 18 carbons; a is valence of the ions; m, n, o, p, and q are each 1 or 0, (m + n + o + p + q) = 4, and (n + o + p + q) is preferably from 1 to 3; and r is 1, and if Y is a multivalent anion, r is 0 or 1. The solution has a pH within the range of from 4 to 9.5, preferably from 5 to 7, and optimally from 5 to 6.5, and for parenteral administration, a coordination compound concentration of from 0.5 to 4.0 wt%. Preferably, n is from 1 to 3, optimally from 2-4, and most optimally from 2 to 3, and Y and Z are monovalent. For example Y is preferably an anion of an aliphatic carboxylic acid having from 2 to 6 carbons such as acetic, propionic, n-butyric acid, isobutyric acid, valeric acid, isovaleric acid, pivalic acid or gluconic acid, and Z is an inorganic anion such as chloride or sulfate. A1, A2, A3 and A4 are preferably α-amino acids having from 2 to 6 carbons such as glycine.

  利用式中的非螯合物配位化合物溶液，可以增强 NMRI 中的 T₁ 和 T₂ 弛豫： [Mn(II)(H₂O)mA1nA2oA3pA4q]+a(Y,Zr)-a 式中 A1、A2、A3 和 A4 是具有 2 至 18 个碳原子的相同或不同的氨基取代的羧酸基团； Y 和 Z 分别是相同或不同的药学上可接受的无机酸阴离子或具有 2 至 18 个碳原子的有机羧酸阴离子； a 是离子的化合价； m、n、o、p 和 q 各为 1 或 0，（m + n + o + p + q）= 4，（n + o + p + q）最好为 1 至 3；以及 r 为 1，如果 Y 是多价阴离子，则 r 为 0 或 1。 溶液的 pH 值范围为 4 至 9.5，优选 5 至 7，最佳为 5 至 6.5，对于肠外给药，配位化合物的浓度为 0.5 至 4.0 wt%。n 最好为 1 至 3，最佳为 2 至 4，最理想为 2 至 3，Y 和 Z 为一价。例如，Y 最好是具有 2 至 6 个碳原子的脂肪族羧酸的阴离子，如乙酸、丙酸、正丁酸、异丁酸、戊酸、异戊酸、特戊酸或葡萄糖酸，Z 是无机阴离子，如氯化物或硫酸盐。A1、A2、A3 和 A4 最好是具有 2 至 6 个碳原子的 α-氨基酸，如甘氨酸。
• METHOD OF ENHANCING PLANT GROWTH BY ADMINISTRATING A PASTEURISED CHLORELLA-BASED COMPOSITION
  申请人：Heliae Development, LLC

  公开号：EP3649862A1

  公开（公告）日：2020-05-13

  Methods preparing a liquid mixotrophic Chlorella based composition comprising pasteurization and stabilization of a low concentration of mixotrophic Chlorella whole cells that have not been subjected to a drying process are disclosed. The liquid composition can be used to enhance the emergence and growth of plants in low concentration and low frequency soil and foliar applications.

  本发明公开了制备基于混养小球藻的液态组合物的方法，包括巴氏杀菌和稳定低浓度的未经过干燥处理的混养小球藻全细胞。该液体组合物可用于在低浓度、低频率的土壤和叶面应用中促进植物的萌发和生长。
• Mixotrophic chlorella-based composition, and methods of its preparation and application to plants
  申请人：Heliae Development, LLC

  公开号：US10357038B2

  公开（公告）日：2019-07-23

  Methods preparing a liquid mixotrophic Chlorella based composition comprising pasteurization and stabilization of a low concentration of mixotrophic Chlorella whole cells that have not been subjected to a drying process are disclosed. The liquid composition can be used to enhance the emergence and growth of plants in low concentration and low frequency soil and foliar applications.

  本发明公开了制备基于混养小球藻的液态组合物的方法，包括巴氏杀菌和稳定低浓度的未经过干燥处理的混养小球藻全细胞。该液体组合物可用于在低浓度、低频率的土壤和叶面应用中促进植物的萌发和生长。
• Chlorella-based composition, and methods of its preparation and application to plants
  申请人：HELIAE DEVELOPMENT, LLC

  公开号：US10517303B2

  公开（公告）日：2019-12-31

  Methods of preparing a liquid Chlorella based composition comprising pasteurization and stabilization of a low concentration of mixotrophic or non-mixotrophic Chlorella whole cells are disclosed. The liquid composition can be used to enhance the emergence and growth of plants in low concentration and low frequency soil, foliar, seed soak, capillary action, and hydroponic applications.

  本发明公开了一种基于小球藻的液体组合物的制备方法，该方法包括巴氏杀菌和稳定低浓度的混养或非混养小球藻全细胞。该液体组合物可用于在低浓度、低频率的土壤、叶面、种子浸泡、毛细作用和水培应用中促进植物的萌发和生长。