2-tert-Butylmaleimid | 55991-56-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-tert-Butylmaleimid
• 英文别名: 3-t-Butylmaleimid；3-tert-Butylmaleimid；3-tert-butyl-pyrrole-2,5-dione；1H-Pyrrole-2,5-dione, 3-(1,1-dimethylethyl)-；3-tert-butylpyrrole-2,5-dione
• CAS: 55991-56-5
• 化学式: C₈H₁₁NO₂
• 分子量: 153.181
• InChiKey: GJFDBYRHAZJJBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-硝基丙烷 、 2-tert-Butylmaleimid 、 potassium carbonate 以87%的产率得到
  参考文献：
  名称：

  CEKOVIC, ZIVORAD;MATOVIC, RADOMIR, J. SERB. CHEM. SOC., 53,(1988) N 5, C. 257-264

  摘要：

  DOI：

文献信息

• Arginase Inhibitors and Their Therapeutic Applications
  申请人：OncoArendi Therapeutics S.A.

  公开号：US20170319536A1

  公开（公告）日：2017-11-09

  Disclosed are small molecule therapeutic compounds that are potent inhibitors of arginase 1 and arginase 2 activity. Also disclosed are pharmaceutical compositions comprising the compounds, and methods for using the compounds for treating or preventing a disease or condition associated with arginase activity.

  揭示了一种小分子治疗化合物，它们是较强的精氨酸酶1和精氨酸酶2活性抑制剂。还揭示了包含这些化合物的药物组合物，以及使用这些化合物治疗或预防与精氨酸酶活性相关的疾病或状况的方法。
• [EN] ANTIBACTERIAL AGENT<br/>[FR] AGENT ANTIBACTÉRIEN
  申请人：UNIV OXFORD INNOVATION LTD

  公开号：WO2016185200A1

  公开（公告）日：2016-11-24

  The invention provides a compound which is a peptide derivative of formula (1) as defined in the claims or a salt thereof: RG is H, -CH2-RGA or C1-12 hydrocarbyl optionally substituted with 1 to 4 substituents selected from -OR', -NO2, -CN, halogen and 5-6 membered heterocyclyl; or RG and RN1 together form a 5-6 membered heterocyclic ring which is optionally substituted with 1 to 3 substituents selected from Ra, -OR' and halogen; RGA is C1-11 hydrocarbyl optionally substituted with 1 to 4 substituents selected from -NR'R", -OR', -NO2, -CN, halogen and 5-6 membered heterocyclyl; RSis C1-16 hydrocarbyl, a 5-10 membered heterocyclyl or heteroaryl group, -(C1-4 alkylene)-RSA or -(C1-4 alkylene)-L-RSA; RSA is C1-16 hydrocarbyl, or a 5-10 membered heterocyclyl or heteroaryl group; L is -SO2-; and wherein RS and RSA are optionally substituted with a group Rb and/or from 1 to 5 substituents selected from Ra, -NR'R", -OR', -NO2, -CN, -C(O)R', -C(O)OR', -C(O)NR'R", -0-C(0)R', -N(R')-C(0)R", -SR', -S(O)R', -S(O)2R', -S(O)2OR', -P(O)(OR')(OR"), =O, -SiR'R"R" and halogen; or Rs and an RC1 together form a 5-6 membered heterocyclyl ring which is optionally substituted with 1 to 3 substituents selected from Ra, -OR' and halogen; Rb is phenyl, benzyl, C3-6 cycloalkyl or 5-6 membered heterocyclyl; Q is -C(O)-N(RN2)-, -C(O)-C(R'R")-, -C(O)-O- -N(RN2)-C(O)-, -C(R'R")- C(O)-, -O-C(O)-, -C(R'R")-C(R"'R"")-, -C(R'R")-O- -O-C(R'R")-, -C(R'R")-N(RN2)-, -N(RN2)-C(R'R")- or -C(R')=C(R")-; Z is a group selected from -C(O)-O-RO and -CN4R' (tetrazolyl); RO is H or C1-12 hydrocarbyl optionally substituted with 1 to 4 substituents selected from -NR'R", -OR', -NO2, -CN, -C(O)R', -C(O)OR', -C(O)NR'R", -O-C(O)R', -N(R')- C(O)R", -SR', -S(O)R', -S(O)2R', -S(O)2OR', -P(O)(OR')(OR"), =O, halogen and 5-6 membered heterocyclyl; or RO and an RC2 together form a 5-6 membered heterocyclyl ring which is optionally substituted with 1 to 3 substituents selected from Ra, -OR' and halogen; each RN1 and RN2 is independently H or C1-4 alkyl; each RC1, RC2, R', R", R" and R"" is independently H or C1-4 alkyl and is optionally substituted with 1 to 3 substituents selected from halogen, -OH and -O-C1-4 alkyl; and each Ra is independently C1-4 alkyl which is optionally substituted with 1 to 3 halogen atoms.

  该发明提供了一种化合物，其为以下公式（1）中所定义的肽衍生物或其盐：RG为H，-CH2-RGA或C1-12烃基，可选地取代为1至4个从-OR'，-NO2，-CN，卤素和5-6成员杂环基中选择的取代基；或RG和RN1一起形成一个5-6成员杂环环，可选地取代为1至3个从Ra，-OR'和卤素中选择的取代基；RGA为C1-11烃基，可选地取代为1至4个从-NR'R"，-OR'，-NO2，-CN，卤素和5-6成员杂环基中选择的取代基；RS为C1-16烃基，一个5-10成员杂环基或杂芳基，-(C1-4烷基)-RSA或-(C1-4烷基)-L-RSA；RSA为C1-16烃基，或一个5-10成员杂环基或杂芳基；L为-SO2-；其中RS和RSA可选地取代为一个基团Rb和/或从Ra，-NR'R"，-OR'，-NO2，-CN，-C(O)R'，-C(O)OR'，-C(O)NR'R"，-O-C(0)R'，-N(R')-C(0)R"，-SR'，-S(O)R'，-S(O)2R'，-S(O)2OR'，-P(O)(OR')(OR")，=O，-SiR'R"R"和卤素中选择的1至5个取代基；或Rs和RC1一起形成一个5-6成员杂环环，可选地取代为1至3个从Ra，-OR'和卤素中选择的取代基；Rb为苯基，苄基，C3-6环烷基或5-6成员杂环基；Q为-C(O)-N(RN2)-，-C(O)-C(R'R")-，-C(O)-O- -N(RN2)-C(O)-，-C(R'R")- C(O)-，-O-C(O)-，-C(R'R")-C(R"'R"")-，-C(R'R")-O- -O-C(R'R")-，-C(R'R")-N(RN2)-，-N(RN2)-C(R'R")-或-C(R')=C(R")-；Z为从-C(O)-O-RO和-CN4R'（四唑基）中选择的基团；RO为H或C1-12烃基，可选地取代为1至4个从-NR'R"，-OR'，-NO2，-CN，-C(O)R'，-C(O)OR'，-C(O)NR'R"，-O-C(O)R'，-N(R')-C(O)R"，-SR'，-S(O)R'，-S(O)2R'，-S(O)2OR'，-P(O)(OR')(OR")，=O，卤素和5-6成员杂环基中选择的取代基；或RO和RC2一起形成一个5-6成员杂环环，可选地取代为1至3个从Ra，-OR'和卤素中选择的取代基；每个RN1和RN2独立地为H或C1-4烷基；每个RC1，RC2，R'，R"，R"和R""独立地为H或C1-4烷基，并可选地取代为1至3个从卤素，-OH和-O-C1-4烷基中选择的取代基；每个Ra独立地为可选地取代为1至3个卤素原子的C1-4烷基。
• NOVEL CYP-EICOSANOID DERIVATIVES
  申请人：MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN

  公开号：US20170008918A1

  公开（公告）日：2017-01-12

  The present invention relates to compounds according to general formula (I) which are analogues of epoxymetabolites produced by cytochrome P450 (CYP) enzymes from omega-3 (n-3) polyunsaturated fatty acids (PUFAs). The present invention further relates to compositions containing one or more of these compounds and to the use of these compounds or compositions for C the treatment or prevention of conditions and diseases associated with inflammation, proliferation, hypertension, coagulation, immune function, pathologic angiogenesis, heart failure and cardiac arrhythmias.

  本发明涉及一般式（I）的化合物，这些化合物是由细胞色素P450（CYP）酶从ω-3（n-3）多不饱和脂肪酸（PUFAs）产生的环氧代谢产物的类似物。本发明还涉及含有这些化合物中的一个或多个的组合物，以及利用这些化合物或组合物用于治疗或预防与炎症、增殖、高血压、凝血、免疫功能、病理性血管生成、心力衰竭和心律失常相关的疾病和症状。
• SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF
  申请人：Arizona Board of Regents on Behalf of the University of Arizona

  公开号：US20200039989A1

  公开（公告）日：2020-02-06

  This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecules having a 6,5-heterocyclic structure (e.g., compounds having a imidazopyridine, imidazopyrimidine, imidazopyrazine, imidazopyridazine, imidazotriazine, benzoimidazole, benzotriazole, benzoisoxazole, purine, indazole, triazolotriazine, triazolopyridazine, triazolopyrimidine, triazolopyrazine, triazolotetrazine, triazolopyridine, pyrazolopyrazine, pyrazolopyrimidine, pyrazolopyridazine, pyrazolotriazine, pyrazolopyridine, isoxazolopyrazine, isoxazolopyrimidine, isoxazolopyrdiazine, isoxazolotriazine, or isoxalopyridine structure) which function as inhibitors of DYRK1A, DYRK1B, and Clk-1, and their use as therapeutics for the treatment of Alzheimer's disease, Down syndrome, diabetes, glioblastoma, autoimmune diseases, cancer (e.g., glioblastoma, prostate cancer), inflammatory disorders (e.g., airway inflammation), and other diseases.

  这项发明属于药物化学领域。具体来说，该发明涉及一类新型小分子，具有6,5-杂环结构（例如，具有咪唑吡啶、咪唑吡嘧啶、咪唑吡嗪、咪唑吡啶嗪、咪唑三嗪、苯并咪唑、苯并三唑、苯并异嗪、嘌呤、吲唑、三唑三嗪、三唑吡啶嗪、三唑吡嘧啶、三唑吡嗪、三唑四嗪、三唑吡啶、吡唑吡嗪、吡唑吡嘧啶、吡唑吡啶嗪、吡唑三嗪、吡唑吡啶、异嗪吡嗪、异嗪吡嘧啶、异嗪吡啶嗪、异嗪三嗪、或异嗪吡啶结构），其作为DYRK1A、DYRK1B和Clk-1的抑制剂，以及它们作为治疗阿尔茨海默病、唐氏综合征、糖尿病、胶质母细胞瘤、自身免疫疾病、癌症（例如，胶质母细胞瘤、前列腺癌）、炎症性疾病（例如，气道炎症）和其他疾病的治疗药物的用途。
• [EN] OCTAHYDROPYRROLO-[3,4-c]CARBAZOLES USEFUL AS ANALGESIC AGENTS<br/>[FR] OCTAHYDROPYRROLO-[3,4-c]CARBAZOLES UTILES EN TANT QU'AGENTS ANALGESIQUES
  申请人：ORTHO-MCNEIL PHARMACEUTICAL, INC.

  公开号：WO1999065911A1

  公开（公告）日：1999-12-23

  (EN) This invention relates to a series of compounds of Formula (I), pharmaceutical compositions containing them and intermediates used in their manufacture. Compounds of the invention alleviate pain in animal models at levels comparable to known analgesic agents. As such the compounds are useful in the treatment of pain.(FR) La présent invention concerne une série de composés de formule (I), des compositions pharmaceutiques contenant ces composés et des intermédiaires utilisés dans leur fabrication. Les composés de cette invention soulagent la douleur dans des modèles animaux à des niveaux comparables aux agents analgésiques connus. Ces composés sont donc utiles dans le traitement de la douleur.

  该发明涉及一系列式(I)的化合物，包括含有它们的制药组合物以及用于它们制造的中间体。该发明的化合物在动物模型中缓解疼痛的程度与已知的镇痛剂相当。因此，这些化合物在治疗疼痛方面是有用的。