trans-4-guanidinomethyl cyclohexane carboxylic acid | 41651-88-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: trans-4-guanidinomethyl cyclohexane carboxylic acid
• 英文别名: 4-guanidinomethylcyclohexanecarboxylic acid；trans-4-guanidinomethylcyclohexylcarboxylic acid；4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylic acid
• CAS: 41651-88-1
• 化学式: C₉H₁₇N₃O₂
• 分子量: 199.253
• InChiKey: JBRMEFWJFBHUKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  trans-4-guanidinomethyl cyclohexane carboxylic acid 生成 Phenyl trans-4-guanidinomethylcyclohexanecarboxylate hydrochloride
  参考文献：
  名称：

  MURAMATSU, MUTSUBU;SATO, TOSIO;YAKAGIMOTO, YUKIO;NIIUTI, TADAMI;NAKADZIMA+

  摘要：

  DOI：
• 作为产物：
  描述：

  凝血酸 、 O-ethylisourea 生成 trans-4-guanidinomethyl cyclohexane carboxylic acid
  参考文献：
  名称：

  WEISS, STEFAN;KROMMER, HELMUT

  摘要：

  DOI：

文献信息

• Discovery and initial optimization of 5,5′-disubstituted aminohydantoins as potent β-secretase (BACE1) inhibitors
  作者：Pawel Nowak、Derek C. Cole、Ann Aulabaugh、Jonathan Bard、Rajiv Chopra、Rebecca Cowling、Kristi Y. Fan、Baihua Hu、Steve Jacobsen、Minakshi Jani、Guixan Jin、Mei-Chu Lo、Michael S. Malamas、Eric S. Manas、Rani Narasimhan、Peter Reinhart、Albert J. Robichaud、Joseph R. Stock、Joan Subrath、Kristine Svenson、Jim Turner、Erik Wagner、Ping Zhou、John W. Ellingboe

  DOI：10.1016/j.bmcl.2009.11.052

  日期：2010.1

  8,8-Diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine (1) was identified through HTS, as a weak (micromolar) inhibitor of BACE1. X-Ray crystallographic studies indicate the 2-aminoimidazole ring forms key H-bonding interactions with Asp32 and Asp228 in the catalytic site of BACE1. Lead optimization using structure-based focused libraries led to the identification of low nanomolar BACE1 inhibitors

  通过HTS将8,8-二苯基-2,3,4,8-四氢咪唑并[1,5- a ]嘧啶-6-胺（1）鉴定为BACE1的弱（微摩尔）抑制剂。X射线晶体学研究表明2-氨基咪唑环在BACE1的催化位点与Asp32和Asp228形成关键的H键相互作用。使用基于结构的聚焦库进行的前导优化导致鉴定出具有从S 1到S 3口袋的取代基的低纳摩尔BACE1抑制剂（例如20b）。
• Methods and compositions for treating or preventing bacterial infection
  申请人：——

  公开号：US20030125384A1

  公开（公告）日：2003-07-03

  The invention relates to compositions and methods for treating or preventing disease or disorders caused by or associated with certain bacterial infection, especially Escherichia coli ( E. coli ) or Helicobacter pylori ( H. pylori ) infection.

  这项发明涉及用于治疗或预防由或与某些细菌感染引起的疾病或紊乱的组合物和方法，特别是大肠杆菌（E. coli）或幽门螺杆菌（H. pylori）感染相关的疾病或紊乱。
• [EN] METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION<br/>[FR] PROCEDES ET COMPOSITIONS POUR LE TRAITEMENT OU LA PREVENTION D'UNE AFFECTION BACTERIENNE
  申请人：ZHU DEXU

  公开号：WO2003029201A1

  公开（公告）日：2003-04-10

  The invention relates to compositions and methods for treating or preventing disease or disorders caused by or associated with certain bacterial infection, especially Escherichia coli (E. coli) or Helicobacter pylori (H. pylori) infection.

  本发明涉及用于治疗或预防由特定细菌感染引起或相关的疾病或疾病障碍的组合物和方法，尤其是大肠杆菌（E. coli）或幽门螺杆菌（H. pylori）感染。
• EXTRACT POWDER OF INDIGO PLANT, AND ITS PREPARATION AND USES
  申请人：Fujii Mitsukiyo

  公开号：US20100034757A1

  公开（公告）日：2010-02-11

  The present invention has objects to provide an extract powder of indigo plant, which has a relatively low hygroscopicity, satisfactory fluidability, and improved storage stability; a process thereof; and a composition incorporated with the extract powder. The objects are solved by a process for producing an extract powder of indigo plant, which comprises incorporating a partial starch hydrolyzate with a dextrose equivalent of 10.2 or lower into one part by weight, on a dry solid basis, of an indigo plant extract contained in a liquid extract of indigo plant in an amount of not lower than 0.25 part by weight but not higher than 5 parts by weight, on a dry solid basis, and drying the resulting mixture; an extract powder of indigo plant prepared thereby; and a composition incorporated with the extract powder.

  本发明旨在提供一种靛蓝植物的提取粉末，其具有相对较低的吸湿性、满意的流动性和改善的储存稳定性；其制备方法；以及与提取粉末混合的组合物。通过将DE值为10.2或更低的部分淀粉水解物以不低于0.25份重量但不高于5份重量的干固物基础加入到液态提取的靛蓝植物提取物的一份重量中，并将所得混合物干燥，来解决上述问题；由此制备的靛蓝植物提取粉末；以及与提取粉末混合的组合物。
• Anti-ulcer composition
  申请人：Okamoto, Shosuke

  公开号：EP0317959A2

  公开（公告）日：1989-05-31

  An anti-peptic ulcer composition containing, as an active ingredient, a therapeutically effective amount of a compound having the formula (I): wherein A represents H2NCH2-, B represents D and E each independently represent H, R,-R'CO2R,-R'(OH)CO2R, wherein X represents H, CONR2 , CONHR, CONH2 . C02H, CO2R, or COR or -R'(CO2R)-: R' represents a lower alkylene group and R represents a lower alkyl group; F represents H, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier.

  一种抗消化性溃疡组合物，其活性成分含有治疗有效量的式(I)化合物： 其中 A 代表 H2NCH2-、 B 代表 D 和 E 各自独立地代表 H、R、-R'CO2R、-R'(OH)CO2R、 其中 X 代表 H、CONR2、CONHR、CONH2 .C02H、CO2R 或 COR 或-R'(CO2R)-：R' 代表低级亚烷基，R 代表低级烷基； F 代表 H、 或其药学上可接受的盐，以及药学上可接受的载体。