N-chlorocarbonyl-(L)-proline t-butyl ester | 84766-85-8

• 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: N-chlorocarbonyl-(L)-proline t-butyl ester
• 英文别名: t-butyl N-chlorocarbonyl-L-prolinate；(S)-1-chlorocarbonyl-pyprrolidine-2-carboxylic acid t-butyl ester；(S)-tert-butyl 1-(chlorocarbonyl)pyrrolidine-2-carboxylate；tert-butyl (2S)-1-carbonochloridoylpyrrolidine-2-carboxylate
• CAS: 84766-85-8
• 化学式: C₁₀H₁₆ClNO₃
• 分子量: 233.695
• InChiKey: QIEZXSKAMVSVDP-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-chlorocarbonyl-(L)-proline t-butyl ester 在 三乙胺 、 肼 作用下， 以 四氢呋喃 为溶剂， 生成 α-Azaglycinyl-(L)-proline t-butyl ester
  参考文献：
  名称：

  Aza analogs of carboxyalkyl dipeptide derivatives as antihypertensives

  摘要：

  已披露了氮代碳基二肽衍生物的aza类似物和相关化合物，这些化合物可用作转化酶抑制剂和降压药，所述化合物由以下通用公式表示：##STR1## 其中A和B可以结合在一起形成各种环结构。

  公开号：

  US04634715A1
• 作为产物：
  描述：

  N-BOC-proline tert-butyl ester 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 17.0h， 生成 N-chlorocarbonyl-(L)-proline t-butyl ester
  参考文献：
  名称：

  α-Sila-二肽：合成与表征

  摘要：

  头两个α-sila-二肽7和环-sila-二肽8是通过几种方法合成并表征的，包括X射线晶体学。庞大的t- BuMe 2 Si取代基为合成分子提供了一定的动力学稳定性。图7和8是氨基酸或肽中心α-位的“ C开关用Si”的第一个例子，其中硅同时与氨基和羰基键合。

  DOI：

  10.1002/anie.201807027

文献信息

• Synthesis and Evaluation of Carbamate Prodrugs of a Phenolic Compound
  作者：Yasushi Igarashi、Erika Yanagisawa、Toshihiro Ohshima、Shuichi Takeda、Masaki Aburada、Ken-ichi Miyamoto

  DOI：10.1248/cpb.55.328

  日期：——

  A series of carbamates of the phenolic compound 1 were prepared and evaluated in vivo as its prodrug. Each carbamate was orally administered to rats, and plasma concentrations of the parent compound 1 were measured with the passage of time. We judged which carbamate was suitable for the prodrug of 1 from both the AUC value of 1 and absence of the carbamate in plasma. The AUC value of 1 after oral administration of 2b was approximately 40-fold higher than that for an administration of 1, and the bioconversion from 2b to 1 was excellent. As a whole, di-substituted carbamates resulted in higher plasma concentrations of 1 than did mono-substituted ones. However di-substituted carbamates were almost always detected in plasma. As a result, we found that the ethycarbamoyl derivative 2b demonstrates the best prodrug property in this series.

  酚类化合物1的一系列氨基甲酸酯被制备并作为前药在体内进行了评估。每种氨基甲酸酯被口服给予大鼠，并随着时间的推移测量母体化合物1的血浆浓度。我们从1的AUC值和血浆中无氨基甲酸酯存在这两方面来判断哪种氨基甲酸酯适合作为1的前药。口服给予2b后1的AUC值大约是直接给予1的40倍，且2b向1的生物转化非常出色。总体而言，双取代氨基甲酸酯导致1的血浆浓度高于单取代氨基甲酸酯。然而双取代氨基甲酸酯几乎总是被检测到在血浆中存在。因此，我们发现乙氨基甲酸酯衍生物2b在这一系列中显示出最佳的前药特性。
• ４置換ベンゼン化合物
  申请人：——

  公开号：JP2005041871A

  公开（公告）日：2005-02-17

  PROBLEM TO BE SOLVED: To provide an excellent hair papilla cell growth promoting agent having WNT-5A production inhibitory action, more concretely, an excellent hair growth promoting agent or hair tonic.

  SOLUTION: A tetrasubstituted benzene compound expressed by formula (1) [R1is nitro; R2is H, a 1-18C alkyl or the like; R3is -S(O)nR31, a halogen, -COR32or -NR34R35; and R4is expressed by formula (2) (X is N or nitrooxy; and R41and R42are identical to or different from each other and are each a 1-18C alkyl or a 1-18C alkyl which is substituted, or form together with adjacent X a group expressed by formula (3) (Y is methylene, O or the like; R51and R52are identical to or different from each other and are each H, a 1-4C alkyl, an aryl or the like; and p and q are each an integer of 1 to 5))] or its salt is provided.

  COPYRIGHT: (C)2005,JPO&NCIPI

  要解决的问题：提供一种具有WNT-5A产生抑制作用的优秀头发毛囊细胞生长促进剂，更具体地说，是一种优秀的头发生长促进剂或头发滋养剂。解决方案：提供一种由以下式（1）表示的四取代苯化合物[R1为硝基；R2为H，1-18碳烷基或类似物；R3为-S(O)nR31，卤素，-COR32或-NR34R35；而R4由式（2）表示（X为N或硝氧基；R41和R42彼此相同或不同，均为1-18碳烷基或被取代的1-18碳烷基，或与相邻的X一起形成由式（3）表示的基团（Y为亚甲基，氧或类似物；R51和R52彼此相同或不同，均为H，1-4碳烷基，芳基或类似物；p和q均为1至5的整数）]或其盐。版权所有：（C）2005，JPO&NCIPI
• Glutamate receptor modulators and therapeutic agents
  申请人：Wood Richard Delarey

  公开号：US20090239919A1

  公开（公告）日：2009-09-24

  The present invention discloses methods of modulating the activity of Group I mGluRs using a defined class of benzamide compounds. In one embodiment, methods of modulating the activity of mGluR1 are provided. In another embodiment, methods of modulating the activity of mGluR5 are provided. In still another embodiment, methods of simultaneously modulating the activities of both mGluR1 and mGluR5 are provided. The present invention also provides methods of treating diseases or disorders which are mediated in full or in part by Group I mGluRs using one or more compounds belonging to the defined class of benzamide compounds. The present invention further provides methods of preventing diseases or disorders which are mediated in full or in part by Group I mGluRs using one or more compounds belonging to the defined class of compounds. Diseases and disorders contemplated include, inter alia, diseases and disorders of the central nervous system, the peripheral nervous system, the gastrointestinal system, the circulatory system, skin, retina, brain, heart, and lungs.

  本发明公开了利用一类明确定义的苯甲酰胺化合物调节I类mGluRs活性的方法。在一个实施例中，提供了调节mGluR1活性的方法。在另一个实施例中，提供了调节mGluR5活性的方法。在另一个实施例中，提供了同时调节mGluR1和mGluR5活性的方法。本发明还提供了利用属于明确定定义的苯甲酰胺化合物类的一个或多个化合物治疗由I类mGluRs完全或部分介导的疾病或紊乱的方法。本发明还提供了利用属于明确定定义的化合物类的一个或多个化合物预防由I类mGluRs完全或部分介导的疾病或紊乱的方法。所考虑的疾病和紊乱包括中枢神经系统、外周神经系统、胃肠系统、循环系统、皮肤、视网膜、大脑、心脏和肺等疾病和紊乱。
• Antihypertensive proline derivatives
  申请人：Merck & Co., Inc.

  公开号：US04402969A1

  公开（公告）日：1983-09-06

  The invention relates to urea compounds which are useful as antihypertensives.

  本发明涉及尿素化合物，它们可用作降压药。
• Carboxyalkyl urea compounds and derivatives thereof useful as
  申请人：Merck & Co., Inc.

  公开号：US04866087A1

  公开（公告）日：1989-09-12

  Carboxyalkyl urea compounds and derivatives thereof are disclosed which are useful as angiotensin converting enzyme (ACE) inhibitors and as antihypertensives. These compounds and derivatives are represented by the general formula: ##STR1## An illustrative specie falling within this general formula is: N-(2-carboxy-4-phenylbutyl-N-isopropylaminocarbonyl-L-tryptophan.

  本发明揭示了作为血管紧张素转换酶（ACE）抑制剂和降压剂有用的羧基烷基脲化合物及其衍生物。这些化合物和衍生物由通式所表示： ##STR1## 在这个通式中，一个具体的种类是：N-（2-羧基-4-苯基丁基-N-异丙基氨基羰基-L-色氨酸）。