N^α-Benzoylornithine | 4668-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N^α-Benzoylornithine
• 英文别名: α-Benzoylornithin；N²-benzoyl-ornithine；N^α-benzoyl-DL-ornithine；N^α-Benzoyl-DL-ornithin；N²-Benzoyl-ornithin；5-azaniumyl-2-benzamidopentanoate
• CAS: 4668-32-0
• 化学式: C₁₂H₁₆N₂O₃
• 分子量: 236.271
• InChiKey: PKONOCQSEOHHJW-UHFFFAOYSA-N

物化性质

• 熔点：
  210 °C
• 沸点：
  514.3±45.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N^α-Benzoylornithine 在 盐酸 、 sodium hydroxide 、 1-己烯 、 磺酰氯 、 sodium trimethoxyborohydride 、 臭氧 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 103.0h， 生成 α-Vinylarginine
  参考文献：
  名称：

  Pedersen, Michelle L.; Berkowitz, David B., Journal of Organic Chemistry, 1993, vol. 58, # 25, p. 6965 - 6975

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 arginase 作用下， 生成 N^α-Benzoylornithine
  参考文献：
  名称：

  Felix; Mueller; Dirr, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1928, vol. 178, p. 198

  摘要：

  DOI：

文献信息

• SYNTHESIS AND USE OF NOVEL INHIBITORS AND INACTIVATORS OF PROTEIN ARGININE DEIMINASES
  申请人：Thompson Paul Ryan

  公开号：US20090306153A1

  公开（公告）日：2009-12-10

  In one embodiment of the present disclosure, an inactivator of protein arginine deiminase 4 is disclosed. The inactivator includes: (I) and x includes F; Cl, and H, y includes OH and NH 2 , R includes H, an alkyl group, an alkenyl group, an alknyl group, and n is greater than 0.

  在本公开的一种实施例中，揭示了一种蛋白质精氨酸脱亚胺酶4的失活剂。该失活剂包括：（I）和x包括F、Cl和H，y包括OH和NH2，R包括H、烷基、烯基、炔基，n大于0。
• Macrocyclic Peptide, Method for Producing Same, and Screening Method Using Macrocyclic Peptide Library
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20160209421A1

  公开（公告）日：2016-07-21

  An object of the present invention is to provide a peptide excellent in resistance against metabolism, having a stable structure in vivo, and capable of penetrating a cell membrane and reaching in cells. The present invention provides a macrocyclic peptide having a macrocyclic structure comprised of four or more amino acids. At least two amino acids not adjacent to each other have a hydrophobic side chain and the hydrophobic side chains interact with each other inside the ring of the macrocyclic peptide in a hydrophilic environment.

  本发明的目的是提供一种具有抗代谢能力、在体内具有稳定结构、能够穿透细胞膜并进入细胞的肽。本发明提供一种具有四个或更多氨基酸构成的大环肽，其具有大环结构。至少有两个不相邻的氨基酸具有疏水侧链，并且这些疏水侧链在大环肽的环内在亲水环境中相互作用。
• Composition containing a penem or carbapenem antibiotic
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0178911A2

  公开（公告）日：1986-04-23

  57 Administration of an N-acylated amino acid (ornithine, lysine, phenylglycine or phenylalanine) in association with a penem or carbapenem antibiotic relieves or eliminates the renal problems associated with administration of the antibiotic alone. The amino acid and antibiotic may be formulated together as a composition or administered separately, either simultaneously or sequentially. A pharmaceutical composition may be prepared simply by mixing the two components.

  57 将 N-酰化氨基酸（鸟氨酸、赖氨酸、苯甘氨酸或苯丙氨酸）与培南类或碳青霉烯类抗生素联合给药，可缓解或消除与单独给药抗生素相关的肾脏问题。 氨基酸和抗生素可一起配制成组合物，也可同时或依次单独给药。 只需将两种成分混合即可制备成药物组合物。
• MACROCYCLIC PEPTIDE, METHOD FOR PRODUCING SAME, AND SCREENING METHOD USING MACROCYCLIC PEPTIDE LIBRARY
  申请人：The University of Tokyo

  公开号：EP3040417A1

  公开（公告）日：2016-07-06

  An object of the present invention is to provide a peptide excellent in resistance against metabolism, having a stable structure in vivo, and capable of penetrating a cell membrane and reaching in cells. The present invention provides a macrocyclic peptide having a macrocyclic structure comprised of four or more amino acids. At least two amino acids not adjacent to each other have a hydrophobic side chain and the hydrophobic side chains interact with each other inside the ring of the macrocyclic peptide in a hydrophilic environment.

  本发明的目的是提供一种抗代谢能力极强、在体内结构稳定、能够穿透细胞膜并到达细胞内的多肽。 本发明提供了一种大环肽，它具有由四个或四个以上氨基酸组成的大环结构。至少两个互不相邻的氨基酸具有疏水侧链，疏水侧链在大环肽的环内亲水环境中相互作用。
• Macrocyclic peptide, method for producing same, and screening method using macrocyclic peptide library
  申请人：The University of Tokyo

  公开号：US10234460B2

  公开（公告）日：2019-03-19

  An object of the present invention is to provide a peptide excellent in resistance against metabolism, having a stable structure in vivo, and capable of penetrating a cell membrane and reaching in cells. The present invention provides a macrocyclic peptide having a macrocyclic structure comprised of four or more amino acids. At least two amino acids not adjacent to each other have a hydrophobic side chain and the hydrophobic side chains interact with each other inside the ring of the macrocyclic peptide in a hydrophilic environment.

  本发明的目的是提供一种抗代谢能力极强、在体内结构稳定、能够穿透细胞膜并到达细胞内的多肽。本发明提供了一种大环肽，它具有由四个或四个以上氨基酸组成的大环结构。至少两个互不相邻的氨基酸具有疏水侧链，疏水侧链在大环肽的环内亲水环境中相互作用。