2-(2-Amino-3-phenyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid

• 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
• 英文名称: 2-(2-Amino-3-phenyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid
• 英文别名: 2-[(2-azaniumyl-3-phenylpropanoyl)amino]-3-(1H-indol-3-yl)propanoate
• 化学式: C₂₀H₂₁N₃O₃
• 分子量: 351.405
• InChiKey: JMCOUWKXLXDERB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-Amino-3-phenyl-propionylamino)-3-(1H-indol-3-yl)-propionic acid 、 Ir(η5-C5(CH3)5)(acetone)3(CF3SO3)2 、 三氟乙酸 以 三氟乙酸 为溶剂， 以87%的产率得到[(η5-C5Me5)Ir(eta.6-C8H6NCH2CH(COOH)NHC(O)CH(NH2)CH2C6H5)](CF3SO3)2*CF3COOH
  参考文献：
  名称：

  Functional mono- and dinuclear peptide complexes featuring chemospecific κS- or η6-coordination of organometallic half-sandwich fragments

  摘要：

  Treatment of the dipeptides H-Tyr-Trp-OH, H-Trp-Tyr-OH, H-Trp-Phe-OH and H-Phe-Tyr-OH with [(T,(6)- cymene)Ru(acetone)(3)].(CF3SO3)(2) (1) in CF3COOH leads to chemospecific eta(6)-coordination in the order of electron-donating ability Trp > Tyr > Phe in respective complexes of the type [(eta(6)-cymene)Ru(eta(6) -dipeptide)](CF3SO3)(2) (3-6) after 24-36 h at 20degreesC. An analogous thermodynamic chemospecificity was also established for the complexes [(eta(5) -Cp*)Ir(eta(6)-dipeptide)](CF3SO3)(2) (7, H-Phe-Trp-OH; 8, H-Phe-Tyr-OH). However, a time-dependent 1H NMR study of the reaction between [(eta(5) -Cp*)Ir(acetone)(3)] (CF3SO3)(2) (2) and H-Tyr-Phe-OH confirms an initial kinetic preference for eta(6)-coordination of the C-terminal arene, as is also apparent from product mixtures obtained after treating 2 with H-Trp-Phe-OH or H-Trp-Tyr-OH for 1-2 d at 50 degreesC. Dinuclear sandwich complexes of the type [(eta(5)-Cp *)Ir(mu(2)-H-Met-X-OH-eta(6)-X:kappa(2)N(M), S)Pt(en)](CF3SO3)(4) (9-11, X = Phe, Tyr, Trp) can be prepared in CF3COOH following initial N-terminal kappa(2)N(M), S chelation of the (en)Pt-II fragment by the methionine residue of the dipeptide. Chemospecific kappaS coordination of the [(eta(5)-Cp *)Ir(dppZ)](2+) fragment in [(eta(5)-Cp*)Ir(dppz) (H-2-HArg-Met-NH2-kappaS)](4+) (12), [{(eta(5)-Cp*)Ir(dppz)}(2)(mu-H-2-Met -Met-OH-kappaS:kappaS')](5+) (13) and [(eta(5)-Cp*)Ir(dppz)(mu-H-Gly-Met-OH-kappaS:kappaN(G))Pt(terpy)](4+) (14) affords effective metallointercalators for DNA with binding constants K-b in the range 1.3-3.3 x 10(6) M-1 and marked melting temperature shifts DeltaT(m) of respectively 10.2, 15.2 and 11.2 degreesC. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00345-1

文献信息

• Bitter taste receptor agonists for topical use
  申请人：Albert-Ludwigs-Universität Freiburg

  公开号：EP2865421A1

  公开（公告）日：2015-04-29

  The invention relates to the use of ligands to a bitter taste receptor in the treatment of a pathological condition of an epithelial barrier such as skin disorders and disorders affecting the sinonasal mucosa and/or the eye.

  本发明涉及使用苦味受体的配体来治疗上皮屏障的病理状态，如皮肤病和影响鼻窦粘膜和/或眼睛的疾病。
• METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK
  申请人：Laboratory Corporation of America Holdings

  公开号：EP3954991A2

  公开（公告）日：2022-02-16

  In certain embodiments, the invention stems from the discovery that analysis of population distribution curves of metabolite levels in blood can be used to facilitate predicting risk of autism spectrum disorder (ASD) and/or to differentiate between ASD and non-ASD developmental delay (DD) in a subject. In certain aspects, information from assessment of the presence, absence, and/or direction (upper or lower) of a tail effect in a metabolite distribution curve is utilized to predict risk of ASD and/or to differentiate between ASD and DD.

  在某些实施方案中，本发明源于发现血液中代谢物水平的群体分布曲线分析可用于促进预测自闭症谱系障碍（ASD）的风险和/或区分受试者的自闭症谱系障碍和非自闭症谱系障碍发育迟缓（DD）。在某些方面，评估代谢物分布曲线中尾部效应的存在、不存在和/或方向（上部或下部）的信息可用于预测 ASD 的风险和/或区分 ASD 和 DD。
• Methods and systems for determining autism spectrum disorder risk
  申请人：Laboratory Corporation of America Holdings

  公开号：US10041932B2

  公开（公告）日：2018-08-07

  In certain embodiments, the invention stems from the discovery that analysis of population distribution curves of metabolite levels in blood can be used to facilitate predicting risk of autism spectrum disorder (ASD) and/or to differentiate between ASD and non-ASD developmental delay (DD) in a subject. In certain aspects, information from assessment of the presence, absence, and/or direction (upper or lower) of a tail effect in a metabolite distribution curve is utilized to predict risk of ASD and/or to differentiate between ASD and DD.

  在某些实施方案中，本发明源于发现血液中代谢物水平的群体分布曲线分析可用于促进预测自闭症谱系障碍（ASD）的风险和/或区分受试者的自闭症谱系障碍和非自闭症谱系障碍发育迟缓（DD）。在某些方面，评估代谢物分布曲线中尾部效应的存在、不存在和/或方向（上部或下部）的信息可用于预测 ASD 的风险和/或区分 ASD 和 DD。
• Blood based biomarkers for diagnosing atherosclerotic coronary artery disease
  申请人：Global Genomics Group, LLC

  公开号：US10254272B2

  公开（公告）日：2019-04-09

  The invention, in some aspects, relates to methods for evaluating a human subject for having atherosclerotic coronary artery disease (ASCAD) or as having a coronary atherosclerotic plaque. In some aspects, the invention relates to methods and kits useful for diagnosing, classifying, profiling and treating atherosclerotic CAD and or a coronary atherosclerotic plaque.

  在某些方面，本发明涉及评估人体是否患有冠状动脉粥样硬化性疾病（ASCAD）或冠状动脉粥样硬化斑块的方法。在某些方面，本发明涉及用于诊断、分类、剖析和治疗动脉粥样硬化性冠状动脉疾病和或冠状动脉粥样硬化斑块的方法和试剂盒。
• Compositions and methods that modulate digestibility in a companion animal
  申请人：NESTEC SA

  公开号：US10624370B2

  公开（公告）日：2020-04-21

  A specific type of digestibility in a companion animal can be improved by adjusting the diet of the animal to increase the amount of a compound which positively or negatively modulates the specific type of digestibility or adjusting the diet of the animal to decrease the amount of a compound which positively or negatively modulates the specific type of digestibility. The specific type of digestibility can be one or more of organic matter digestibility, dry matter digestibility, fiber digestibility, energy digestibility, fat digestibility, or protein digestibility.

  通过调整动物的饮食，增加对特定类型消化率有积极或消极调节作用的化合物的用量，或调整动物的饮食，减少对特定类型消化率有积极或消极调节作用的化合物的用量，可以改善伴侣动物的特定类型消化率。特定类型的消化率可以是有机物消化率、干物质消化率、纤维消化率、能量消化率、脂肪消化率或蛋白质消化率中的一种或多种。