tert-butyl (4-(methoxy(methyl)amino)-4-oxobutyl)(methyl)carbamate | 761456-79-5

• 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: tert-butyl (4-(methoxy(methyl)amino)-4-oxobutyl)(methyl)carbamate
• 英文别名: Tert-butyl {4-[methoxy(methyl)amino]-4-oxobutyl}methylcarbamate；tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-methylcarbamate
• CAS: 761456-79-5
• 化学式: C₁₂H₂₄N₂O₄
• mdl: MFCD24391829
• 分子量: 260.334
• InChiKey: YDEPSVTYDASKPF-UHFFFAOYSA-N

物化性质

• 沸点：
  323.8±35.0 °C(Predicted)
• 密度：
  1.049±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (4-(methoxy(methyl)amino)-4-oxobutyl)(methyl)carbamate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以61%的产率得到2-甲基-2-丙基甲基(4-氧代丁基)氨基甲酸酯
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of cytotoxic 11-aminoalkenylindenoisoquinoline and 11-diaminoalkenylindenoisoquinoline topoisomerase I inhibitors

  摘要：

  The cytotoxic indenoisoquinolines are a novel class of noncamptothecin topoisomerase I inhibitors having certain features that compare favorably with the camptothecins. A new strategy was adopted to attach aminoalkenyl substituents at C-11 of the indenoisoquinoline ring system, which, according to molecular modeling, would orient the side chains toward the DNA minor groove. All of the newly synthesized compounds were more cytotoxic than the parent indenoisoquinoline NSC 314622. Despite an imperfect correlation between cytotoxicities and topoisomerase I inhibition results, the hypothetical structural model of the cleavage complex presented here provides a conceptual framework to explain the structure-activity relationships. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.07.027
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 16.0h， 生成 tert-butyl (4-(methoxy(methyl)amino)-4-oxobutyl)(methyl)carbamate
  参考文献：
  名称：

  [EN] PYRIDAZINES OR 1,2,4-TRIAZINES SUBSTITUTED BY SPIROCYCLIC AMINES
  [FR] PYRIDAZINES OU 1,2,4-TRIAZINES SUBSTITUÉES PAR DES AMINES SPIROCYCLIQUES

  摘要：

  本发明涉及一种在哺乳动物中用于治疗和/或预防的药物，包括这些化合物的制药组合物，以及它们作为menin / MLL蛋白质/蛋白质相互作用抑制剂的用途，用于治疗癌症等疾病，包括但不限于白血病、骨髓增生异常综合症（MDS）和骨髓增生性肿瘤（MPN）；以及糖尿病。

  公开号：

  WO2022253289A1

文献信息

• [EN] SUBSTITUTED STRAIGHT CHAIN SPIRO DERIVATIVES<br/>[FR] DÉRIVÉS SPIRO À CHAÎNE DROITE SUBSTITUÉS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021121327A1

  公开（公告）日：2021-06-24

  Provided herein are pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, pharmaceutical composition comprising such compounds, and their use as menin/MLL protein/protein interaction inhibitors, useful for treating diseases such as cancer, including but not limited to leukemia, myelodysplastic syndrome (MDS), and myeloproliferative neoplasms (MPN); and diabetes.

  本文提供了在哺乳动物中用于治疗和/或预防的药物剂，包括含有这些化合物的药物组合物，以及它们作为menin/MLL蛋白质相互作用抑制剂的用途，用于治疗癌症等疾病，包括但不限于白血病、骨髓增生异常综合征（MDS）和骨髓增生性肿瘤（MPN）；以及糖尿病。
• Structure–Activity Relationship of Biakamide, Selective Growth Inhibitors under Nutrient-Starved Condition from Marine Sponge
  作者：Ryosuke Ishida、Hirokazu Matsumoto、Sayaka Ichii、Motomasa Kobayashi、Masayoshi Arai、Naoyuki Kotoku

  DOI：10.1248/cpb.c18-00587

  日期：2019.3.1

  The tumor microenvironment is considered as one of the important targets for anticancer drug discovery. In particular, nutrient deficiency may be observed in tumor microenvironment; biakamides A–D (1–4) isolated from marine sponge Petrosaspongia sp. as growth inhibitors against cancer cells adapted to glucose-deprived conditions have potential as new drugs and tools for elucidating adaptation mechanisms to these conditions. In this paper, we investigated structure–activity relationship (SAR) of biakamide to create easily accessible analog and gain insights about participation of the substructures to growth–inhibitory activity toward development of anticancer drug. This work revealed that 14,15-dinor-biakamide C (5), which is easily accessible, has similar activity to natural biakamide C (3). In addition, detailed SAR study showed the terminal acyl chain is important for interacting with target molecule and amide part including thiazole ring has acceptability to convert structures without losing activity.

  肿瘤微环境被认为是抗癌药物发现的重要靶点之一。特别是在肿瘤微环境中可能观察到营养缺乏；从海洋海绵Petrosaspongia sp.中分离出的生物酰胺A-D（1-4）作为对适应于缺糖条件的癌细胞的生长抑制剂，具有作为新药和工具以阐明对这些条件适应机制的潜力。本文中，我们研究了生物酰胺的构效关系（SAR），以创建易于获取的类似物，并深入了解其子结构在生长抑制活性中的参与情况，以推动抗癌药物的发展。研究结果表明，易于获取的14,15-二去氢生物酰胺C（5）具有与天然生物酰胺C（3）相似的活性。此外，详细的SAR研究显示，末端酰链对于与靶分子的相互作用很重要，而包括噻唑环的酰胺部分可以在不损失活性的情况下转换结构。
• AMIDE DERIVATIVE
  申请人：Ikeda Takuya

  公开号：US20120071467A1

  公开（公告）日：2012-03-22

  Compounds or pharmacologically acceptable salts thereof are provided. In various embodiments the compounds have an antagonistic effect on a neurokinin NK 1 receptor, a neurokinin NK 2 receptor, and a muscarine M 3 receptor. The compounds are useful as therapeutic agents for bronchial asthma, chronic obstructive pulmonary disease, or the like.

  本发明提供了化合物或其药理学上可接受的盐。在各种实施例中，这些化合物对神经激肽NK1受体、神经激肽NK2受体和毒蕈碱M3受体具有拮抗作用。这些化合物可用作治疗支气管哮喘、慢性阻塞性肺疾病等疾病的治疗剂。
• Amide derivative
  申请人：Ikeda Takuya

  公开号：US08476253B2

  公开（公告）日：2013-07-02

  Compounds or pharmacologically acceptable salts thereof are provided. In various embodiments the compounds have an antagonistic effect on a neurokinin NK1 receptor, a neurokinin NK2 receptor, and a muscarine M3 receptor. The compounds are useful as therapeutic agents for bronchial asthma, chronic obstructive pulmonary disease, or the like.

  本发明提供了化合物或其药理学上可接受的盐。在各种实施例中，这些化合物具有对神经激肽NK1受体、神经激肽NK2受体和肌碱M3受体的拮抗作用。这些化合物可用作治疗支气管哮喘、慢性阻塞性肺疾病或类似疾病的治疗剂。
• [EN] PYRIDAZINES OR 1,2,4-TRIAZINES SUBSTITUTED BY SPIROCYCLIC AMINES<br/>[FR] PYRIDAZINES OU 1,2,4-TRIAZINES SUBSTITUÉES PAR DES AMINES SPIROCYCLIQUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2022253289A1

  公开（公告）日：2022-12-08

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, pharmaceutical composition comprising such compounds, and their use as menin/MLL protein/protein interaction inhibitors, useful for treating diseases such as cancer, including but not limited to leukemia, myelodysplastic syndrome (MDS), and myeloproliferative neoplasms (MPN); and diabetes.

  本发明涉及一种在哺乳动物中用于治疗和/或预防的药物，包括这些化合物的制药组合物，以及它们作为menin / MLL蛋白质/蛋白质相互作用抑制剂的用途，用于治疗癌症等疾病，包括但不限于白血病、骨髓增生异常综合症（MDS）和骨髓增生性肿瘤（MPN）；以及糖尿病。