H-DL-gGlu-DL-Cys(Bn(3-I))(Bn(3-I))-Gly-OH

• 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: H-DL-gGlu-DL-Cys(Bn(3-I))(Bn(3-I))-Gly-OH
• 英文别名: 2-amino-5-[[1-(carboxymethylamino)-3-[(3-iodophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• 化学式: C₁₇H₂₂IN₃O₆S
• 分子量: 523.3
• InChiKey: AHWSFXKKIDTZBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  184
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。
• COMPOUNDS WEAKENING SAICAR SYNTHASE ACTIVITY, AND APPLICATIONS
  申请人：Geneheal Biotechnology Co., Ltd.

  公开号：EP3524614A1

  公开（公告）日：2019-08-14

  Provided are compounds reducing SAICAR accumulation, and applications. On the basis of existing protein structure data and small molecule structure data, calculations and analysis are performed using software to screen and obtain compounds capable of effectively interfering with PAICS activity, reducing SAICAR synthesis, and ultimately reducing SCICAR accumulation, in order to achieve the goal of treating or improving ADSL deficiency. A better effect in the treatment or improvement of ADSL deficiency is expected from the joint use of at least two of the described compounds.

  提供了减少 SAICAR 积累的化合物及其应用。在现有蛋白质结构数据和小分子结构数据的基础上，利用软件进行计算和分析，筛选并获得能够有效干扰 PAICS 活性、减少 SAICAR 合成并最终减少 SCICAR 积累的化合物，以达到治疗或改善 ADSL 缺乏症的目的。通过联合使用至少两种所述化合物，有望在治疗或改善 ADSL 缺乏症方面取得更好的效果。
• ADVANCED DRUG DEVELOPMENT AND MANUFACTURING
  申请人：Los Alamos National Security, LLC

  公开号：EP2084519A2

  公开（公告）日：2009-08-05
• X-RAY FLUORESCENCE ANALYSIS METHOD
  申请人：Los Alamos National Security, LLC

  公开号：EP2084519B1

  公开（公告）日：2012-08-01
• X-ray microscope
  申请人：XRpro Sciences, Inc.

  公开号：EP2511844B1

  公开（公告）日：2015-08-12