3-(1-吡咯烷基)丙氨酸 | 773825-57-3

• 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
• 中文名称: 3-(1-吡咯烷基)丙氨酸
• 中文别名: 1-甲基-2-硝基-6-苯基咪唑并[4,5-B]吡啶
• 英文名称: β-pyrrolidinoalanine
• 英文别名: 1-Pyrrolidinepropanoic acid, alpha-amino-；2-amino-3-pyrrolidin-1-ylpropanoic acid
• CAS: 773825-57-3
• 化学式: C₇H₁₄N₂O₂
• 分子量: 158.2
• InChiKey: RVCJHIIAIHAVIP-UHFFFAOYSA-N

物化性质

• 沸点：
  300.7±32.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  66.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(1-吡咯烷基)丙氨酸 在 盐酸 、 三乙胺 作用下， 以 水 、 甲苯 为溶剂， 反应 172.08h， 生成 3-(naphthalen-1-yl)-5-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione hydrochloride
  参考文献：
  名称：

  Synthesis of Some New 5-Dialkylaminomethylhydantoins and Related Compounds

  摘要：

  In this paper, we describe the synthesis of new 5-dialkylaminomethyl-substituted hydantoin derivatives (3 and 9) from beta-aminoalanines (1 or 6) and some chemical properties of the synthesized compounds. A synthetic trial for the preparation of a new twin-drug type molecule (12) is also described.

  DOI：

  10.3987/com-12-12592

文献信息

• Antibacterial Activity of 5-Dialkylaminomethylhydantoins and Related Compounds
  作者：Fumiko Fujisaki、Kaori Shoji、Mari Shimodouzono、Nobuhiro Kashige、Fumio Miake、Kunihiro Sumoto

  DOI：10.1248/cpb.58.1123

  日期：——

  To find new antibacterial leads in the class of hydantoin derivatives, we carried out synthetic investigation and biological evaluation of the title hydantoin derivatives and related compounds. Among the hydantoin derivatives described in this article, compound 3o, in which a 2,6-dichlorophenyl ring was introduced at the N-3 position of the hydantoin nucleus, showed the highest levels of antibacterial activity against both Escherichia coli NBRC14237 (NIHJ) and Staphylococcus aureus ATCC6538P (gram-negative and gram-positive bacteria, respectively) strains.

  为了在氢噻啉衍生物类中寻找新的抗菌候选物，我们进行了合成研究和生物评价。本文中描述的氢噻啉衍生物中，化合物3o在氢噻啉核的N-3位置引入了一个2,6-二氯苯环，对大肠杆菌NBRC14237 (NIHJ) 和金黄色葡萄球菌ATCC6538P（分别为阴性和阳性菌株）表现出最高的抗菌活性。
• Diagnostic and therapeutic agents
  申请人：Taube Seija

  公开号：US20070258899A1

  公开（公告）日：2007-11-08

  Tumor targeting units are disclosed which have a peptide sequence C y —Y—G-F—X—W-G-Z-C yy (SEQ ID NO: 25), or a pharmaceutically or physiologically acceptable salt thereof. Tumor targeting agents are also disclosed having at least one targeting unit, directly or indirectly coupled to at least one effector unit. Diagnostic or pharmaceutical compositions having at least one targeting unit or at least one targeting agent, and targeting units or targeting agents for the preparation of a medicament for the treatment of cancer related diseases (including cancer), especially for the treatment of colon/colorectal cancer or its metastases are also disclosed.

  揭示了具有肽序列Cy—Y—G-F—X—W-G-Z-Cyy（序列ID编号：25）或其药学或生理上可接受的盐的肿瘤靶向单元。还披露了具有至少一个靶向单元的肿瘤靶向剂，直接或间接地偶联至至少一个效应单元。还披露了具有至少一个靶向单元或至少一个靶向剂的诊断或药物组合物，以及用于制备治疗癌症相关疾病（包括癌症）的药物的靶向单元或靶向剂，特别是用于治疗结肠/结直肠癌或其转移的靶向单元或靶向剂。
• Preparation and Chemical Properties of 5-Dialkylaminomethylhydantoins and 2-Thio-Analogues
  作者：Fumiko Fujisaki、Kaori Shoji、Kunihiro Sumoto

  DOI：10.1248/cpb.57.1415

  日期：——

  efficient procedure for the preparation of 5-dialkylaminomethylhydantoins 3, which are easily obtained from cyclization of the corresponding urea derivatives 2 starting with beta-aminoalanines 1, is described. Methylenehydantoin and the corresponding 2-thio analogue (4a, 4b) were obtained from hydantoins 3a and 3b, respectively. Some new chemical properties of these hydantoin derivatives are reported

  描述了一种制备5-二烷基氨基甲基乙内酰脲3的有效方法，其可以容易地从以β-氨基丙氨酸1开始的相应脲衍生物2的环化获得。亚甲基乙内酰脲和相应的2-硫代类似物（4a，4b）分别从乙内酰脲3a和3b获得。报道了这些乙内酰脲衍生物的一些新化学性质。
• A Conventional Route for the Synthesis of New Oxazolidin-2-one Derivatives with .BETA.-Aminoalanines
  作者：Fumiko Fujisaki、Nobuhiro Abe、Kunihiro Sumoto

  DOI：10.1248/cpb.52.1238

  日期：——

  A conventional new route to the novel oxazolidin-2-one derivatives (3a-f) having two substituents on N-3 and C-4 in the oxazolidin-2-one ring was established with racemic beta-aminoalanine derivatives (1) as the key starting materials.

  以外消旋β-氨基丙氨酸衍生物（1）为基础，建立了在恶唑烷-2-酮环的N-3和C-4上具有两个取代基的新型恶唑烷-2-酮衍生物（3a-f）的常规新路线。关键的起始材料。
• Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus
  申请人：Doronina Svetlana O.

  公开号：US20090018086A1

  公开（公告）日：2009-01-15

  Auristatin peptide analogs of MeVal-Val-Dil-Dap-Phe (MMAF) are provided having C-terminal phenylalanine residue side chain replacements or modifications which are provided alone or attached to ligands through various linkers. The related conjugates can target specific cell types to provide therapeutic benefit.

  提供了MeVal-Val-Dil-Dap-Phe（MMAF）的Auristatin肽类类似物，其中包括C-末端苯丙氨酸残基侧链替换或修饰，这些类似物可以单独提供或通过各种连接剂连接到配体上。相关的结合物可以针对特定细胞类型，提供治疗效果。