3-[tert-butoxycarbonyl(methyl)amino]propyl methanesulfonate | 273756-96-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 3-[tert-butoxycarbonyl(methyl)amino]propyl methanesulfonate
• 英文别名: 3-(N-t-butoxycarbonyl-N-methylamino)propyl methanesulfonate；3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl methanesulfonate
• CAS: 273756-96-0
• 化学式: C₁₀H₂₁NO₅S
• 分子量: 267.346
• InChiKey: ZZKYUIXZEQLWAH-UHFFFAOYSA-N

物化性质

• 沸点：
  388.8±21.0 °C(Predicted)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  81.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[tert-butoxycarbonyl(methyl)amino]propyl methanesulfonate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 tert-butyl N-[3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)propyl]-N-methylcarbamate
  参考文献：
  名称：

  Novel Hydroximic Acid Derivative and Medical Application Thereof

  摘要：

  本发明涉及一种新的羟肟酸衍生物，具体而言，是吡唑嘧啶的羟肟酸衍生物及其医药应用，对组蛋白去乙酰化酶1和两种酪氨酸激酶（血管内皮细胞生长因子受体以及血小板源性生长因子受体）具有抑制作用，因此可用于治疗与这三种酶相关的疾病。这种化合物既能充分发挥协同作用以增加生物活性，又避免了由不同性质和代谢引起的问题，因此更加实用且具有良好前景。

  公开号：

  US20160176879A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 3-[tert-butoxycarbonyl(methyl)amino]propyl methanesulfonate
  参考文献：
  名称：

  结构引导的铅向非手性结核分枝杆菌胸苷酸激酶抑制剂的产生。

  摘要：

  近年来，一直致力于开发细菌DNA生物合成必不可少的酶胸苷酸激酶（TMPK），以开发新的抗菌剂，包括抗结核分枝杆菌（结核分枝杆菌）。为了应对对更有效的抗结核药物的日益增长的需求，我们在先前探索新型和有效结核分枝杆菌TMPK（Mt TMPK）抑制剂的努力基础上，在此报告了一系列新型非核苷的设计的抑制剂山TMPK。抑制剂在Mt的活性位点显示出迄今未探索的相互作用TMPK，提供有关结构与活动关系的新见解。为了研究酶抑制活性和全细胞活性之间的差异，进行了外排泵抑制剂和外排泵敲除突变体的实验。当确定外排泵mmr敲除突变体时，特定抑制剂的最小抑制浓度显着增加，这部分解释了观察到的不和谐。

  DOI：

  10.1021/acs.jmedchem.7b01570

文献信息

• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS
  申请人：He Wei

  公开号：US20160200730A1

  公开（公告）日：2016-07-14

  Described herein is a novel series of multi-fluoro-substituted pyrazolopyrimidine compounds or salts thereof. These compounds are Bruton's tyrosine kinase (BTK) inhibitors. These compounds may possess better BTK inhibition selectivity and pharmacokinetic properties. Disclosed herein are the synthesis methods of these compounds. Disclosed herein are novel synthesis methods of the multi-fluoro-substituted benzophenone and substituted phenoxy benzene. Also disclosed are pharmaceutical compositions comprising the BTK inhibitors described herein. The present invention also relates to pharmaceutical formulations comprising the compounds described herein as active ingredients. The present invention also includes the therapeutic methods by administering the BTK inhibitors and their formulations to treat and inhibit autoimmune disease, hypersensitivity disease, inflammatory diseases and cancer.

  本文描述了一种新型的多氟取代吡唑嘧啶化合物或其盐。这些化合物是布鲁顿酪氨酸激酶（BTK）抑制剂。这些化合物可能具有更好的BTK抑制选择性和药代动力学特性。本文披露了这些化合物的合成方法。本文还披露了多氟取代苯甲酮和取代苯氧基苯的新型合成方法。还披露了包括上述BTK抑制剂的药物组合物。本发明还涉及包含上述化合物作为活性成分的药物配方。本发明还包括通过给予BTK抑制剂及其配方来治疗和抑制自身免疫疾病、过敏性疾病、炎症性疾病和癌症的治疗方法。
• [EN] HECT E3 LIGASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LIGASE E3 HECT ET LEURS UTILISATIONS
  申请人：IFOM FONDAZIONE ST FIRC DI ONCOLOGIA MOLECOLARE

  公开号：WO2020245213A1

  公开（公告）日：2020-12-10

  The present invention relates to tricyclic derivatives of formula (I), which are useful as inhibitors of HECT-domain-containing E3 ligases, in particular NEDD4. The present invention also refers to pharmaceutical compositions comprising compounds of formula (I), to their medical use and to their process of preparation.

  本发明涉及公式（I）的三环衍生物，其作为HECT结构域含有E3连接酶的抑制剂，特别是NEDD4。本发明还涉及包含公式（I）化合物的药物组合物，它们的医疗用途以及它们的制备方法。
• New Histidyl amino acid derivatives, and pharmaceutical composition
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04921855A1

  公开（公告）日：1990-05-01

  A compound of the formula: ##STR1## wherein R.sup.1 is lower alkyl optionally substituted with a substituent selected from the group consisting of acyl, hydroxy, lower alkoxy, aryl, lower alkylthio and a group of the formula: ##STR2## in which R.sup.5 is hydrogen or acyl and R.sup.6 is hydrogen or lower alkyl; aryl; or amino optionally substituted with substituent(s) selected from the group consisting of lower alkyl and acyl; and R.sup.2 is hydrogen or lower alkyl; or R.sup.1 and R.sup.2 are taken together with the attached nitrogen atom to form a heterocyclic group optionally substituted with substituent(s) selected from the group consisting of lower alkyl, hydroxy(lower )alkyl, lower alkoxy(lower)alkyl, acyl(lower)alkyl, oxo and acyl; R.sup.3 is hydrogen or lower alkyl; and R.sup.4 is lower alkyl; and its pharmaceutically acceptable salt, processes for the preparation thereof and pharmaceutical composition comprising the same.

  该化合物的化学式如下：##STR1##其中R.sup.1是选择自酰基、羟基、较低烷氧基、芳基、较低烷硫基和化学式组成的取代基的较低烷基，其中R.sup.5是氢或酰基，R.sup.6是氢或较低烷基；芳基；或氨基，可选择地带有来自较低烷基和酰基的取代基，R.sup.2是氢或较低烷基；或R.sup.1和R.sup.2与相连的氮原子一起形成可选择地带有来自较低烷基、羟基(较低)烷基、较低烷氧基(较低)烷基、酰基(较低)烷基、氧代基和酰基的取代基的杂环基；R.sup.3是氢或较低烷基；R.sup.4是较低烷基；以及其药学上可接受的盐、其制备方法和包含其的药物组合物。
• S-3578, A New Broad Spectrum Parenteral Cephalosporin Exhibiting Potent Activity Against both Methicillin-resistant Staphylococcus aureus (MRSA) and Pseudomonas aeruginosa Synthesis and Structure-activity Relationships.
  作者：HIDENORI YOSHIZAWA、HIKARU ITANI、KOJI ISHIKURA、TADASHI IRIE、KATSUKI YOKOO、TADATOSHI KUBOTA、KYOJI MINAMI、TSUTOMU IWAKI、HIDEAKI MIWA、YASUHIRO NISHITANI

  DOI：10.7164/antibiotics.55.975

  日期：——

  A series of 7-aminothiadiazolylcephalosporins having a 1-(substituted)-1H-imidazo[4, 5-b]pyridinium group at the C-3' position of the cephem nucleus were synthesized and evaluated for in vitro antibacterial activities. Among the cephalosporins prepared in this study, 7β-[2-(5-amino-1, 2, 4-thiadiazol-3-yl)-2(Z)-ethoxyiminoacetamido]-3-[1-(3-methylaminopropyl)-1H-imidazo[4, 5-b]pyridinium-4-yl]methyl-3-cephem-4-carboxylate sulfate (S-3578) showed extremely potent broad spectrum activity against both Gram-positive bacteria including methicillin-resistant Staphylococcus aureus (MRSA) and Gram-negative bacteria including Pseudomonas aeruginosa, and good water solubility.

  一系列具有1-(取代基)-1H-咪唑[4, 5-b]吡啶铵基团的7-氨基噻二唑基头孢菌素在头孢核的C-3'位点合成并评估其体外抗菌活性。在本研究中制备的头孢菌素中，7β-[2-(5-amino-1, 2, 4-thiadiazol-3-yl)-2(Z)-ethoxyiminoacetamido]-3-[1-(3-methylaminopropyl)-1H-imidazo[4, 5-b]pyridinium-4-yl]methyl-3-头孢-4-羧酸盐硫酸盐(S-3578)对革兰氏阳性细菌（包括抗甲氧西林的金黄色葡萄球菌MRSA）和革兰氏阴性细菌（包括铜绿色假单胞菌）表现出极强的广谱活性，并且具有良好的水溶性。