2-Amino-3-methyl-1-piperidin-1-yl-butan-1-one | 56414-93-8

• 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-Amino-3-methyl-1-piperidin-1-yl-butan-1-one
• 英文别名: [2-Methyl-1-(piperidin-1-ylcarbonyl)propyl]amine hydrochloride；2-amino-3-methyl-1-piperidin-1-ylbutan-1-one
• CAS: 56414-93-8
• 化学式: C₁₀H₂₀N₂O
• 分子量: 184.282
• InChiKey: SZPYGVGYDZCXEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Heterocyclic antiviral compounds
  申请人：Lee Kyung Eun

  公开号：US20060014767A1

  公开（公告）日：2006-01-19

  Chemokine receptor antagonists, in particular, 3,7-diazabicyclo[3.3.0]octane compounds according to formula (I) are antagonists of chemokine CCR5 receptors which are useful for treating or preventing an human immunodeficiency virus (HIV) infection, or treating AIDS or ARC. The invention further provides methods for treating diseases that are allieviated with CCR5 antagonists. The invention includes pharmaceutical compositions and methods of using the compounds for the treatment of these diseases. The invention further includes processes for the preparation of compounds according to formula I.

  化学因子受体拮抗剂，尤其是按照公式（I）制备的3,7-二氮杂双环[3.3.0]辛烷类化合物是化学因子CCR5受体的拮抗剂，可用于治疗或预防人类免疫缺陷病毒（HIV）感染，或治疗艾滋病或ARC。发明还提供了用于缓解与CCR5拮抗剂相关的疾病的治疗方法。该发明包括制备公式I化合物的药物组合物和使用这些化合物治疗这些疾病的方法。该发明还包括制备公式I化合物的过程。
• PROCESS FOR THE PREPARATION OF PLEUROMUTILINS
  申请人：Macher Ingolf

  公开号：US20090253748A1

  公开（公告）日：2009-10-08

  A process for the preparation of 14-O-[(N-(3-methyl-2-amino-butyryl-piperidinyl)sulfanyl) acetyl]mutilins of formula (I) feasible for large-scale production of high purity products, and wherein the carbon atom at the piperidine ring attached to the sulphur atom is either in the (S)-configuration or in the (R)-configuration, and a new crystalline form of 14-O-[(N-3-methyl-2-(R)-amino-butyryl-piperidine-3(S)-yl)sulfanyl)acetyl]mutilin-hydrochloride.

  一种制备式（I）14-O-[(N-(3-甲基-2-氨基丁酰基-哌啶基)硫醇基乙酰基]黏菌素的工艺，适用于大规模生产高纯度产品，其中连接到硫原子的哌啶环上的碳原子处于（S）构型或（R）构型，并且一种新的14-O-[(N-3-甲基-2-(R)-氨基丁酰基-哌啶-3（S）-基硫醇基乙酰基]黏菌素盐酸盐的晶体形式。
• PLEUROMUTILINS AND PROCESS FOR THE PREPARATION OF PLEUROMUTILINS
  申请人：NABRIVA THERAPEUTICS AG

  公开号：US20130053571A1

  公开（公告）日：2013-02-28

  A process for the preparation of 14-O—[(N-(3-methyl-2-amino-butyryl-piperidinyl)sulfanyl)acetyl]mutilins of formula feasible for large-scale production of high purity products, and wherein the carbon atom at the piperidine ring attached to the sulphur atom is either in the (S)-configuration or in the (R)-configuration, and a new crystalline form of 14-O—[(N-3-methyl-2-(R)-amino-butyryl-piperidine-3(S)-yl)sulfanyl)acetyl]mutilin-hydrochloride.

  一种制备14-O-[(N-(3-甲基-2-氨基丁酰基-哌啶-3-基)硫酰基)乙酰基]木酮类化合物的方法，适用于大规模生产高纯度产品，其中连接到硫原子的哌啶环上的碳原子可以是(S)-构型或(R)-构型，并且一种新的14-O-[(N-3-甲基-2-(R)-氨基丁酰基-哌啶-3(S)-基)硫酰基]乙酰基木酮盐酸盐的晶型。
• Antibacterial mutilins
  申请人：Ascher Gerd

  公开号：US20090209584A1

  公开（公告）日：2009-08-20

  A compound of formula (I) wherein R and R 2 and the attached nitrogen atom form pyrrolidinyl or piperidinyl. R 1 is a group of formula (II). R 3 and R′ 3 are hydrogen, deuterium or halogen. R 4 , R 5 and R 10 are independently of each other hydrogen or alkyl. R 6 , R 7 and R 8 are hydrogen or deuterium. R 9 is amino, alkyl, aryl, heterocyclyl or mercapto. If X is oxygen, R 9 is additionally hydrogen; R′ 10 is alkyl, X is sulphur, oxygen, NR 10 , or N+(R′ 10 ) 2 ; Y is sulphur or oxygen, and m is 0, 1 or 2, with the proviso that, when R and R 2 and the attached nitrogen atom form piperidinyl, m is O, Y is S and Y is attached in position 3 of the piperidine ring, that group of formula (I) which is attached to the piperidine ring via the residue Y is either in the (S)-configuration or in the (R)-configuration, preferably in the (S)-configuration which is useful as antimicrobial, antibacterial.

  化合物式（I），其中R和R2以及附加的氮原子形成吡咯烷基或哌嗪基。R1是式（II）的基团。R3和R′3是氢，氘或卤素。R4，R5和R10独立地是氢或烷基。R6，R7和R8是氢或氘。R9是氨基，烷基，芳基，杂环基或巯基。如果X是氧，则R9还是氢；R′10是烷基，X是硫，氧，NR10或N +（R′10）2；Y是硫或氧，m为0，1或2，但当R和R2以及附加的氮原子形成哌嗪基时，m为O，Y为S，并且Y附加在哌嗪环的3位，通过残基Y连接到哌嗪环的式（I）的基团是（S）-构型或（R）-构型，优选为（S）-构型，可用作抗微生物，抗菌剂。
• Crystal structure of the large ribosomal subunit from S. aureus
  申请人：Yeda Research and Development Co. Ltd.

  公开号：US10556934B2

  公开（公告）日：2020-02-11

  A composition-of-matter comprising a crystallized form of a large ribosomal (50S) subunit of a pathogenic bacterium, and the atomic coordinates of the three-dimensional structure thereof are provided herein, as well as methods for crystallizing the same, and using the atomic coordinates of the same to design de novo ligands with high specificity thereto.

  本文提供了一种包含病原菌大核糖体（50S）亚基结晶形式的物质组合物及其三维结构的原子坐标，以及结晶该物质组合物和利用该物质组合物的原子坐标设计对其具有高特异性的新配体的方法。