N-hydroxy-norleucine | 112658-97-6

• 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: N-hydroxy-norleucine
• 英文别名: N-Hydroxy-norleucin；Hydroxyaminocaproic acid；2-(hydroxyamino)hexanoic acid
• CAS: 112658-97-6
• 化学式: C₆H₁₃NO₃
• 分子量: 147.174
• InChiKey: DIRXHKZJBMAKPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Natrium-Verbindung des Butylmalonsaeure-diaethylesters 在 三氧化二氮 、 乙醇 作用下， 生成 N-hydroxy-norleucine
  参考文献：
  名称：

  α-Hydroxylamino Nitriles and α-Hydroxylamino Acids^1,2

  摘要：

  DOI：

  10.1021/jo01101a007

文献信息

• Nitrilases, nucleic acids encoding them and methods for making and using them
  申请人：Diversa Corporation

  公开号：US20040014195A1

  公开（公告）日：2004-01-22

  The invention relates to nitrilases and to nucleic acids encoding the nitrilases. In addition methods of designing new nitrilases and method of use thereof are also provided. The nitrilases have increased activity and stability at increased pH and temperature.

  该发明涉及腈酶和编码腈酶的核酸。此外还提供了设计新腈酶的方法以及使用该方法的方法。这些腈酶在较高的pH值和温度下具有增加的活性和稳定性。
• [EN] ARGININE GINGIPAIN INHIBITORS<br/>[FR] INHIBITEURS DE L'ARGININE-GINGIPAÏNE
  申请人：CORTEXYME INC

  公开号：WO2020191348A1

  公开（公告）日：2020-09-24

  Therapeutics targeting the bacterium Porphyromonas gingivalis, including its proteases arginine gingipain A and arginine gingipain B, are disclosed, as well as the use thereof for the treatment of disorders associated with P. gingivalis infection, including brain disorders such as Alzheimer's disease. In certain embodiments, the invention provides compounds according to Formula I, Formula Ia, and Formula Ib, as described herein, and pharmaceutically acceptable salts thereof.

  揭示了针对细菌Porphyromonas gingivalis及其蛋白酶精氨酸龈蛋白A和精氨酸龈蛋白B的治疗方法，以及其用于治疗与P. gingivalis感染相关的疾病，包括脑部疾病如阿尔茨海默病。在某些实施例中，本发明提供了根据本文所述的Formula I、Formula Ia和Formula Ib的化合物，以及其药用可接受的盐。
• BioMolQuest: integrated database-based retrieval of protein structural and functional information
  作者：Yury V. Bukhman、Jeffrey Skolnick

  DOI：10.1093/bioinformatics/17.5.468

  日期：2001.5.1

  Motivation: Information about a particular protein or protein family is usually distributed among multiple databases and often in more than one entry in each database. Retrieval and organization of this information can be a laborious task. This task is complicated even further by the existence of alternative terms for the same concept.

  Results: The PDB, SWISS-PROT, ENZYME, and CATH databases have been imported into a combined relational database, BioMolQuest. A powerful search engine has been built using this database as a back end. The search engine achieves significant improvements in query performance by automatically utilizing cross-references between the legacy databases. The results of the queries are presented in an organized, hierarchical way.

  Availability: http://bioinformatics.danforthcenter.org/yury/public/home.html. Unavailable for commercial users.

  Contact: [e-mail]

  * To whom correspondence should be addressed.

  动机：关于特定蛋白质或蛋白质家族的信息通常分布在多个数据库中，并且在每个数据库中往往有多个条目。检索和组织这些信息可能是一项繁重的任务。这项任务更加复杂，因为存在相同概念的替代术语。

  结果：PDB、SWISS-PROT、ENZYME和CATH数据库已导入到一个组合的关系数据库BioMolQuest中。利用该数据库作为后端构建了一个强大的搜索引擎。该搜索引擎通过自动利用传统数据库之间的交叉引用，显著提高了查询性能。查询结果以有组织、分层的方式呈现。

  可用性：http://bioinformatics.danforthcenter.org/yury/public/home.html。商业用户不可用。

  联系人：[e-mail]

  * 通讯应寄送至何处。

• [EN] HYDROFORMYLATION PROCESS FOR PHARMACEUTICAL INTERMEDIATE<br/>[FR] PROCÉDÉ D'HYDROFORMYLATION D'INTERMÉDIAIRES PHARMACEUTIQUES
  申请人：DOW GLOBAL TECHNOLOGIES INC

  公开号：WO2005110986A1

  公开（公告）日：2005-11-24

  The invention relates to an improved process for the preparation of an advanced synthetic intermediate of ACE inhibitors. In one aspect, the present invention is based on a novel process for the preparation of an aldehyde of formula (I), wherein (N)PrG is a protected amino group, R is an alkyl or aralkyl group and X1-4 are each independently H or a non-reacting substituent, which comprises hydroformylation of an α-olefin of formula (II), by reaction with syngas (CO/H2) in the presence of, as catalyst, a group VIII transition metal complex of a phosphorus-containing ligand. Aldehyde (I), the product of linear hydroformylation, is formed in preference to aldehyde (III). In another aspect of the invention, α-olefin (II) is a novel composition. The process to convert (II) to (I) enables an efficient manufacturing route to MDL 28,726 and analogues.

  该发明涉及一种改进的制备ACE抑制剂高级合成中间体的工艺。在一个方面，本发明基于一种新颖的制备式(I)醛的工艺，其中(N)PrG是保护的氨基团，R是烷基或芳基烷基团，X1-4分别独立地是H或非反应取代基，包括通过与合成气(CO/H2)在磷含配体的第VIII族过渡金属复合物的催化剂存在下，对式(II)的α-烯烃进行水甲醛化。醛(I)，线性水甲醛化的产物，优先形成醛(III)。在本发明的另一个方面，α-烯烃(II)是一种新型组合物。将(II)转化为(I)的工艺为MDL 28,726及类似物提供了一条高效的制造途径。
• HYDROFORMYLATION PROCESS FOR PHARMACEUTICAL INTERMEDIATE
  申请人：Daugs Edward D

  公开号：US20090247744A1

  公开（公告）日：2009-10-01

  The invention relates to an improved process for the preparation of an advanced synthetic intermediate of ACE inhibitors. In one aspect, the present invention is based on a novel process for the preparation of an aldehyde of formula (I), wherein (N) PrG is a protected amino group, R is an alkyl or aralkyl group and X 1-4 are each independently H or a non-reacting substituent, which comprises hydroformylation of an α-olefin of formula (II), by reaction with syngas (CO/H 2 ) in the presence of, as catalyst, a group VII transition metal complex of a phosphorus-containing ligand. Aldehyde (I), the product of linear hydroformylation, is formed in preference to aldehyde (III). In another aspect of the invention, α-olefin (II) is a novel composition. The process to convert (II) to (I) enables an efficient manufacturing route to MDL 28,726 and analogues.

  本发明涉及一种改进的制备ACE抑制剂先进合成中间体的过程。在一个方面，本发明基于一种新的制备式(I)的醛的过程，其中(N)PrG是保护的氨基团，R是烷基或芳基烷基团，X1-4是各自独立的H或不反应的取代基，包括通过与合成气(CO/H2)反应，在含有含磷配体的第VII族过渡金属配合物的催化剂存在下，对式(II)的α-烯烃进行加氢甲酰化。醛(I)是线性加氢甲酰化的产物，优先形成于醛(III)。在本发明的另一个方面，α-烯烃(II)是一种新的组合物。将(II)转化为(I)的过程实现了MDL 28,726和类似物的高效制造路线。