2-甲基-2-丙基(1H-咪唑-2-基甲基)氨基甲酸酯 | 203664-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-甲基-2-丙基(1H-咪唑-2-基甲基)氨基甲酸酯
• 英文名称: tert-butyl [(1H-imidazol-2-yl)methyl]carbamate
• 英文别名: tert-butyl N-[(1H-imidazol-2-yl)methyl]carbamate；tert-Butyl ((1H-imidazol-2-yl)methyl)carbamate；tert-butyl N-(1H-imidazol-2-ylmethyl)carbamate
• CAS: 203664-05-5
• 化学式: C₉H₁₅N₃O₂
• 分子量: 197.237
• InChiKey: CEUVRSCDAWCEGC-UHFFFAOYSA-N

物化性质

• 沸点：
  401.5±28.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基(1H-咪唑-2-基甲基)氨基甲酸酯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以34 %的产率得到tert-butyl [(5-bromo-1H-imidazol-2-yl)methyl]carbamate
  参考文献：
  名称：

  [EN] BICYCLIC TRIAZINE DERIVATIVES FOR THE TREATMENT OF CANCER
  [FR] DÉRIVÉS DE TRIAZINE BICYCLIQUES POUR TRAITER LE CANCER

  摘要：

  The present invention provides compounds of general formula (I) in which A, B, X, Y, R1, R2and R3are as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of hyperproliferative disorders such as cancer disorders, as a sole agent or in combination with other active ingredients.

  公开号：

  WO2023135057A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 2-氨基甲基咪唑盐酸盐 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 52.8h， 以300 mg的产率得到2-甲基-2-丙基(1H-咪唑-2-基甲基)氨基甲酸酯
  参考文献：
  名称：

  [EN] CYCLIC INHIBITORS OF HEPATITIS B VIRUS
  [FR] INHIBITEURS CYCLIQUES DU VIRUS DE L'HÉPATITE B

  摘要：

  本发明涉及抑制乙型肝炎病毒（HBV）的化合物。本发明的化合物可单独使用或与其他药剂结合用于治疗、改善、预防或治愈HBV感染及相关疾病。本发明还涉及含有上述化合物的药物组合物。

  公开号：

  WO2020016434A1

文献信息

• [EN] AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES<br/>[FR] COMPOSÉS AMINOPYRAZINES AYANT DES PROPRIÉTÉS ANTAGONISTES DE L'A2A
  申请人：MERCK SHARP & DOHME

  公开号：WO2016081290A1

  公开（公告）日：2016-05-26

  Disclosed are compounds of Formula A and Formula A-1, or a salt thereof, and pharmaceutical formulations (pharmaceutical compositions) comprising those compounds, or a salt thereof; wherein "R1", "RA-1", "R2", "R3", and "Het" are defined herein above, which compounds are believed suitable for use in selectively antagonizing the A2a receptors, for example, those found in high density in the basal ganglia. Such compounds and pharmaceutical formulations are believed to be useful in treatment or management of neurodegenerative diseases, for example, Parkinson's disease, or movement disorders arising from use of certain medications used in the treatment or management of Parkinson's disease.

  公开的是Formula A和Formula A-1的化合物，或其盐，以及包含这些化合物或其盐的药物配方（药物组合物）；其中“R1”、“RA-1”、“R2”、“R3”和“Het”如上所定义，这些化合物被认为适用于选择性拮抗A2a受体，例如，在基底神经节中高密度存在的受体。这些化合物和药物配方被认为在治疗或管理神经退行性疾病方面有用，例如帕金森病，或由于使用治疗或管理帕金森病的某些药物而引起的运动障碍。
• Benzopiperidine derivatives
  申请人：Eisai Co., Ltd.

  公开号：US06518423B1

  公开（公告）日：2003-02-11

  Benzopiperidine derivatives represented by formula (I), salts thereof or hydrates thereof, processes for producing the same and drugs comprising the same: wherein the variables are as described in the specification. These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and rejection reaction accompanying organ transplantation.

  本茨哌啶衍生物，由公式(I)表示，其盐或水合物，其制备方法以及包含其的药物: 其中变量如说明书中所述。这些化合物作为药物有效，用于预防和治疗这些各种炎症性疾病和免疫性疾病，如类风湿性关节炎、特应性皮炎、银屑病、哮喘和伴随器官移植的排斥反应。
• ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS
  申请人：Pinto Donald J.P.

  公开号：US20100016316A1

  公开（公告）日：2010-01-21

  The present invention provides compounds of Formula (I) or (II): or a stereoisomer, tautomer, pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L 1 , R 3 , R 4 , R 8a , R 11 and M are as defined herein. The compounds of Formula (I) or (II) are selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors or dual inhibitors of fXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了化合物的结构式（I）或（II）： 或其立体异构体、互变异构体、药学上可接受的盐或溶剂形式，其中变量A、L1、R3、R4、R8a、R11和M如本文所定义。结构式（I）或（II）的化合物是凝血级联和/或接触激活系统的丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶、Xa因子、XIa因子、IXa因子、VIIa因子和/或血浆激肽。具体而言，涉及选择性XIa因子抑制剂或fXIa和血浆激肽的双重抑制剂的化合物。本发明还涉及包含这些化合物的药物组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。
• ω‐(5‐Phenyl‐2<i>H</i>‐tetrazol‐2‐yl)alkyl‐substituted hydrazides and related compounds as inhibitors of amine oxidase copper containing 3 (AOC3)
  作者：Florian Galster、Timo Pöstges、Walburga Hanekamp、Matthias Lehr

  DOI：10.1002/ardp.202200111

  日期：2022.8

  the enzyme, the amino group of this substrate was replaced with functional groups that occur in known AOC3 inhibitors, such as hydrazide or glycine amide moieties. In addition, derivatives of the compounds obtained in this way were prepared. The obtained hydrazide 5, which proved to be the most effective, was subjected to further structural modifications. Selected hydrazides were evaluated for selectivity

  含铜胺氧化酶 3 (AOC3)，也称为血浆胺氧化酶、氨基脲敏感性胺氧化酶或血管粘附蛋白 1，使用铜和醌作为辅因子，催化伯胺氧化脱氨为醛。因为它参与炎症细胞通过血管向组织的迁移，所以AOC3被认为在炎症性疾病中起重要作用。因此，这种酶的抑制剂可能会导致治疗炎症相关疾病的新疗法。最近，6-(5-苯基-2H-tetrazol-2-yl)hexan-1-amine 被发现是 AOC3 的紧密结合底物。为了获得新的酶抑制剂，该底物的氨基被已知 AOC3 抑制剂中的官能团取代，例如酰肼或甘氨酸酰胺部分。此外，制备了以这种方式获得的化合物的衍生物。对得到的被证明是最有效的酰肼5进行进一步的结构修饰。评估选定的酰肼对一些其他胺氧化酶的选择性。
• BENZOPIPERIDINE DERIVATIVES
  申请人：Eisai Co., Ltd.

  公开号：EP0934941A1

  公开（公告）日：1999-08-11

  This invention provides a benzopiperidine derivative represented by the following general formula (I), its salt or hydrates thereof:    wherein R1 to R3 may be the same or different and each represents hydrogen, optionally substituted lower alkyl, optionally substituted lower cycloalkyl or the like, provided that the case where R1 to R3 each represents methyl in the case of lower alkyl is excluded; R represents hydrogen, lower alkyl or the like; E represents N, C or the like; Z represents O, S, SO, SO2 or the like; and the ring G represents an optionally substituted heteroaryl ring having one or more nitrogen atoms. Those are effectively used for a drug for preventing or remedying inflammatory immunologic diseases and autoimmune diseases, or a drug for preventing or remedying rheumatism, collagen disease, asthma, nephritis, ischemic reflow disorders, psoriasis, atopic dermatitis or rejection reaction accompanying organ transplantation.

  本发明提供了由以下通式(I)代表的苯并哌啶衍生物、其盐或水合物： 其中 R1 至 R3 可以相同或不同，各自代表氢、任选取代的低级烷基、任选取代的低级环烷基或类似物，但不包括 R1 至 R3 在低级烷基中各自代表甲基的情况；R 代表氢、低级烷基或类似物；E 代表 N、C 或类似物；Z 代表 O、S、SO、SO2 或类似物；环 G 代表具有一个或多个氮原子的任选取代的杂芳基环。这些药物可有效用于预防或治疗炎症性免疫疾病和自身免疫疾病，或用于预防或治疗风湿病、胶原病、哮喘、肾炎、缺血性回流障碍、牛皮癣、特应性皮炎或器官移植时的排斥反应。