FMOC-D-3,4-二氯苯丙氨酸 | 177966-58-4

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 苯丙氨酸类衍生物
• 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: FMOC-D-3,4-二氯苯丙氨酸
• 英文名称: Fmoc-DPhe(3,4-diCl)-OH
• 英文别名: Fmoc-D-Phe(3,4-Cl)-OH；Fmoc-3,4-dichloro-D-phenylalanine；(2R)-3-(3,4-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• CAS: 177966-58-4
• 化学式: C₂₄H₁₉Cl₂NO₄
• mdl: MFCD00273472
• 分子量: 456.325
• InChiKey: QNVHCYWPXIGFGN-JOCHJYFZSA-N

物化性质

• 熔点：
  122°C
• 比旋光度：
  30 º (c=1,DMF)
• 沸点：
  661.7±55.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  29242990,2924299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (9ci)-3-[[(9h-芴-9-基甲氧基)羰基]氨基]-2,3-二氢-2-氧代-5-苯基-1H-1,4-苯并二氮杂卓-1-乙酸 、 FMOC-D-3,4-二氯苯丙氨酸 、 alkaline earth salt of/the/ methylsulfuric acid 生成 (R)-2-[2-(3-Acetylamino-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-acetylamino]-3-(3,4-dichloro-phenyl)-propionamide
  参考文献：
  名称：

  Structure–activity relationship investigations of a potent and selective benzodiazepine oxytocin antagonist

  摘要：

  We have investigated the structure-activity relationships of the 1- and 3-substituents and replacements of the 5-phenyl roup of GW405212X 1, a potent selective oxytocin antagonist. The effect of these modifications on oxytocin binding antagonism and on pharmacokinetic parameters is reported. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00202-5

文献信息

• [EN] NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE TOXINE DE CLOSTRIDIUM DIFFICILE
  申请人：VENENUM BIODESIGN LLC

  公开号：WO2017214359A1

  公开（公告）日：2017-12-14

  The present invention relates to benzodiazepine derivative compounds of formula (I), or pharmaceutically acceptable salts thereof. The present benzodiazepine compounds are useful Clostridium difficile inhibitors in the treatment of Clostridium difficile infection in humans. The present invention provides a pharmaceutical composition containing benzodiazepine compounds of formula (I) and a method of making as well as a method of using the same in treating patients infected with Clostridium difficile infection by administering the same. The compounds of the present invention may be used in combination with additional antibiotics or anti-toxin antibody drugs.

  本发明涉及式(I)的苯二氮卓衍生物化合物，或其药学上可接受的盐。目前的苯二氮卓衍生物在治疗人类的克罗斯特氏梭菌感染中是有用的抑制剂。本发明提供了一种含有式(I)的苯二氮卓化合物的药物组合物，以及制备该药物组合物的方法和使用该药物组合物治疗感染克罗斯特氏梭菌的患者的方法。本发明的化合物可以与额外的抗生素或抗毒素抗体药物结合使用。
• Selective Substrates and Activity-Based Probes for Imaging of the Human Constitutive 20S Proteasome in Cells and Blood Samples
  作者：Wioletta Rut、Marcin Poręba、Paulina Kasperkiewicz、Scott J. Snipas、Marcin Drąg

  DOI：10.1021/acs.jmedchem.8b00026

  日期：2018.6.28

  the HyCoSuL approach, we designed and synthesized novel and selective fluorogenic substrates for each of these three constitutive 20S proteasome activities and applied them to assess inhibition of proteasome subunits by MG-132 and a clinically used inhibitor bortezomib. Our results confirm the utility of designed substrates in biochemical assays. Furthermore, selective peptide sequences obtained in this

  蛋白酶体是维持蛋白质稳态的关键酶复合物。蛋白酶体功能紊乱导致包括癌症，自身免疫和神经退行性疾病在内的病理。因此，蛋白酶体构成药物开发的极好的分子靶标。在这里，我们使用HyCoSuL方法为这三个20S组成型蛋白酶体活性中的每一个设计和合成了新颖的选择性荧光底物，并将它们应用于评估MG-132和临床使用的硼替佐米对蛋白酶体亚基的抑制作用。我们的结果证实了设计的底物在生化分析中的实用性。此外，以此方式获得的选择性肽序列用于构建荧光团标记的基于活性的探针，然后用于同时检测HEK-293F细胞和红细胞裂解液中的每个20S组成型蛋白酶体亚基。总体而言，我们描述了一种简单而快速的方法，可用于测量全血样本中20S组成型蛋白酶体的活性，该方法可以早期诊断与异常上调的蛋白酶体活性有关的病理状态。
• Oligonucleotide encoded chemical libraries
  申请人：Plexium, Inc.

  公开号：US10981170B2

  公开（公告）日：2021-04-20

  This application provides a bead with a covalently attached chemical compound and a covalently attached DNA barcode and methods for using such beads. The bead has many substantially identical copies of the chemical compound and many substantially identical copies of the DNA barcode. The compound consists of one or more chemical monomers, where the DNA barcode takes the form of barcode modules, where each module corresponds to and allows identification of a corresponding chemical monomer. The nucleic acid barcode can have a concatenated structure or an orthogonal structure. Provided are method for sequencing the bead-bound nucleic acid barcode, for cleaving the compound from the bead, and for assessing biological activity of the released compound.

  本申请提供了一种带有共价连接的化合物和共价连接的 DNA 条形码的珠子，以及使用这种珠子的方法。这种珠子有许多基本相同的化合物拷贝和许多基本相同的 DNA 条形码拷贝。化合物由一种或多种化学单体组成，DNA 条形码采用条形码模块的形式，每个模块对应并可识别相应的化学单体。核酸条形码可以具有连接结构或正交结构。本发明还提供了对与珠子结合的核酸条形码进行测序、从珠子上裂解化合物以及评估释放出的化合物的生物活性的方法。
• Melanocortin Tetrapeptide Ac-His-DPhe-Arg-Trp-NH₂ Modified at the Para Position of the Benzyl Side Chain (DPhe): Importance for Mouse Melanocortin-3 Receptor Agonist versus Antagonist Activity
  作者：Bettina Proneth、Irina D. Pogozheva、Federico P. Portillo、Henry I. Mosberg、Carrie Haskell-Luevano

  DOI：10.1021/jm800291b

  日期：2008.9.25

  The melanocortin-3 and -4 receptors (MC3R, MC4R) have been implicated in energy homeostasis and obesity. Whereas the physiological role of the MC4R is extensively studied, little is known about the MC3R. One caveat is the limited availability of ligands that are selective for the MC3R. Previous studies identified Ac-His-DPhe(p-I)-Arg-Trp-NH2, which possessed partial agonist/antagonist pharmacology at the mMC3R while retaining full nanomolar agonist pharrnacology at the mMC4R. These data allowed for the hypothesis that the DPhe position in melanocortin tetrapeptides can be used to examine ligand side-chain determinants important for differentiation of mMC3R agonist versus antagonist activity. A series of 15 DPhe(7) modified Ac-His-DPhe(7)-Arg-Trp-NH2 tetrapeptides has been synthesized and pharmacologically characterized. Most notable results include the identification of modifications that resulted in potent antagonists/partial agonists at the mMC3R and full, potent agonists at the mMC4R. These SAR studies provide experimental evidence that the molecular mechanism of antagonism at the mMC3R differentiates this subtype from the mMC4R.
• Methods for synthesis of encoded libraries
  申请人：Morgan Barry

  公开号：US20070042401A1

  公开（公告）日：2007-02-22

  The present invention provides a method of synthesizing libraries of molecules which include an encoding oligonucleotide tag.