3-氨基-3-氰基吡咯烷-1-羧酸叔丁酯 | 871115-54-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 3-氨基-3-氰基吡咯烷-1-羧酸叔丁酯
• 英文名称: tert-butyl 3-amino-3-cyanopyrrolidine-1-carboxylate
• CAS: 871115-54-7
• 化学式: C₁₀H₁₇N₃O₂
• 分子量: 211.264
• InChiKey: NFLVTBMZGLRSPT-UHFFFAOYSA-N

物化性质

• 沸点：
  336.6±42.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  79.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 储存条件：
  存储条件：2-8°C，避光保存，保持干燥并密封。

反应信息

• 作为反应物：
  描述：

  3-氨基-3-氰基吡咯烷-1-羧酸叔丁酯 在 镍 吡啶 、 盐酸 、 氢气 、 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 乙酸乙酯 为溶剂， 反应 76.0h， 生成 2,2,2-trifluoro-N-{1-methyl-3-[(2,2,2-trifluoro-acetylamino)-methyl]-pyrrolidin-3-yl}-acetamide
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of a novel series of rifabutin-like spirorifamycins

  摘要：

  A novel series of spirorifamycins was synthesized and their antibacterial activity evaluated both in vitro and in vivo. This new series of rifamycins shows excellent activity against Staphylococcus aureus that is equivalent to rifabutin. However, some compounds of the series exhibit lower MICs than rifabutin against rifampin-resistant strains of S. aureus. Further, compound 2e exhibits comparable efficacy in vivo in a murine model of S. aureus septicemia model following administration by either oral or parenteral dosing routes.

  DOI：

  10.1016/j.bmcl.2006.12.026
• 作为产物：
  描述：

  sodium cyanide 、 1-叔丁氧碳基-3-吡咯烷酮 在 ammonium acetate 作用下， 以 甲醇 为溶剂， 以93%的产率得到3-氨基-3-氰基吡咯烷-1-羧酸叔丁酯
  参考文献：
  名称：

  [EN] STAPLED AND STITCHED POLYPEPTIDES AND USES THEREOF
  [FR] POLYPEPTIDES À AGRAFES ET À SUTURE ET LEURS UTILISATIONS

  摘要：

  本发明提供了Formulae (I)和(VI)的订书钉多肽：(I) (VI)及其盐；其中的基团=====；R1a、R1b、R1c、R2a、R3a、R2b、R3b、R4a、R4b、RA、RZ、L1a、L1b、L2、L3、XAA、v、w、p、m、s、n、t和q如本文所定义。本发明还提供了从未定书钉的多肽前体制备创新的定书钉多肽的方法。本发明还提供了包含Formula (I)或(VI)的定书钉多肽的药物组合物，以及使用这些定书钉肽的方法。本发明还提供了环闭合交换反应后订书钉的修饰。

  公开号：

  WO2014159969A1

文献信息

• [EN] COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR<br/>[FR] COMPOSÉS ET PROCÉDÉS DE MODULATION DE CD73 ET LEURS INDICATIONS
  申请人：PLEXXIKON INC

  公开号：WO2021113625A1

  公开（公告）日：2021-06-10

  Disclosed are compounds of Formula I: or a pharmaceutically acceptable salt, a solvate, a tautomer, a stereoisomer or a deuterated analog thereof, wherein R1, R2, R3, A, L, and G are as described in any of the embodiments described in this disclosure; compositions thereof; and uses thereof.

  揭示了Formula I的化合物：或其药用可接受盐、溶剂化合物、互变异构体、立体异构体或氘代谢物，其中R1、R2、R3、A、L和G如本公开说明书中的任何实施例中所描述；以及这些化合物的组合物和用途。
• Spiro-rifamycin derivatives targeting RNA polymerase
  申请人：Ma Zhenkun

  公开号：US20050277633A1

  公开（公告）日：2005-12-15

  Compounds of the current invention relate to rifamycin derivatives having antimicrobial activities, including activities against drug-resistant microorganisms. More specifically, compounds of the current invention relate to a series of novel spiro rifamycin derivatives which have demonstrated potent antimicrobial activity.

  当前发明的化合物涉及具有抗微生物活性的利福霉素衍生物，包括对耐药微生物的活性。更具体地说，当前发明的化合物涉及一系列表现出强效抗微生物活性的新型螺环利福霉素衍生物。
• USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3950059A1

  公开（公告）日：2022-02-09

  A medicament for treating or preventing pruritus is provided. For the medicament for treating or preventing pruritus, a compound having a blocking action on Cav3.2T-type calcium channels represented by General Formulas (I) to (VI), a tautomer of the compound, a stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof is used as an active ingredient.

  提供一种用于治疗或预防瘙痒的药物。用于治疗或预防瘙痒的药物中，使用具有对Cav3.2T型钙通道具有阻断作用的化合物，该化合物以一般式(I)至(VI)表示，该化合物的互变异构体、立体异构体、其药用可接受的盐或其溶剂为活性成分。
• STAPLED AND STITCHED POLYPEPTIDES AND USES THEREOF
  申请人：President and Fellows of Harvard College

  公开号：EP3782638A1

  公开（公告）日：2021-02-24

  The present invention provides stapled polypeptides of the Formulae (I) and (VI): and salts thereof; wherein the groups -----; R1a, R1b, R1c, R2a, R3a, R2b, R3b, R4a, R4b, RA, RZ, L1a, L1b, L2, L3, XAA, v, w, p, m, s, n, t, and q are as defined herein. The present invention further provides methods of preparing the inventive stapled polypeptides from unstapled polypeptide precursors. The present invention further provides pharmaceutical compositions comprising a stapled polypeptide of Formula (I) or (VI), and methods of using the stapled peptides. The present invention also provides modifications of the staples post ring closing metathesis.

  本发明提供了式 (I) 和 (VI) 的钉状多肽： 及其盐；其中基团 -----; R1a, R1b, R1c, R2a, R3a, R2b, R3b, R4a, R4b, RA, RZ, L1a, L1b, L2, L3, XAA, v, w, p, m, s, n, t, 和 q 如本文所定义。本发明进一步提供了从非钉书钉多肽前体制备本发明钉书钉多肽的方法。本发明进一步提供了包含式（I）或（VI）的钉状多肽的药物组合物，以及使用钉状多肽的方法。本发明还提供了闭环偏析后对钉状多肽的修饰。
• T-TYPE CALCIUM CHANNEL BLOCKER
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3825303A1

  公开（公告）日：2021-05-26

  To provide a novel T-type calcium channel blocker. A compound represented by the following General Formula (I), a tautomer or a stereoisomer of the compound, a pharmaceutically acceptable salt of the compound, or a solvate of the compound, the tautomer, the stereoisomer, or the salt is used as a T-type calcium channel blocker. wherein A represents a phenyl which may have a substituent, a 4-membered to 6-membered heteroaryl ring composed of one to three identical or different heteroatoms selected from an oxygen atom, a sulfur atom, and a nitrogen atom and carbon atoms as ring-constituting atoms, or a heterocondensed ring composed of the heteroaryl ring and either a benzene ring or a 6-membered heteroaryl ring composed of one to two nitrogen atoms and carbon atoms, wherein the heteroaryl ring or the heterocondensed ring may have a substituent and is bonded to a nitrogen atom of the adjacent cyclic amino by means of a carbon atom constituting these rings; B represents a phenyl which may have a substituent, a 5-membered or 6-membered heteroaryl ring composed of one to three identical or different heteroatoms selected from an oxygen atom, a sulfur atom, and a nitrogen atom and carbon atoms as ring-constituting atoms, or a heterocondensed ring composed of the heteroaryl ring and either a benzene ring or a 6-membered heteroaryl ring composed of one to two nitrogen atoms and carbon atoms, wherein the heteroaryl ring or the heterocondensed ring may have a substituent and is bonded to the adjacent cyclopropyl ring by means of a carbon atom constituting these rings; R1 and R2, which may be identical or different, each represent a hydrogen atom, a halogen atom, or the like; R3 represents a hydrogen atom, a halogen atom, or the like; n and m, which may be identical or different, each represent 0 or 1; and p represents 1 or 2.

  提供一种新型 T 型钙通道阻滞剂。 由以下通式（I）代表的化合物、该化合物的同系物或立体异构体、该化合物的药学上可接受的盐，或该化合物、同系物、立体异构体或盐的溶液可用作 T 型钙通道阻滞剂。 其中 A 代表可能具有取代基的苯基、由 1 至 3 个相同或不同的杂原子组成的 4 元至 6 元杂芳基环，这些杂原子选自氧原子、硫原子、氮原子和碳原子作为构环原子、或由杂芳基环和苯环或由一至两个氮原子和碳原子组成的 6 元杂芳基环组成的杂缩合环，其中杂芳基环或杂缩合环可具有取代基，并通过构成这些环的碳原子与相邻环状氨基的氮原子键合； B 代表可能具有取代基的苯基、由 1 至 3 个相同或不同的杂原子组成的 5 元或 6 元杂芳基环，这些杂原子选自氧原子、硫原子、氮原子和作为构环原子的碳原子、或由杂芳环和苯环或由一至两个氮原子和碳原子组成的六元杂芳环组成的杂缩合环，其中杂芳环或杂缩合环可具有取代基，并通过构成这些环的碳原子与相邻的环丙基环键合； R1 和 R2 可以相同或不同，各自代表氢原子、卤素原子或类似物； R3 代表氢原子、卤素原子或类似原子； n 和 m 可以相同或不同，各自代表 0 或 1；p 代表 1 或 2。