tert-butyl-3-hydroxy-1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate | 209905-48-6

• 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-3-hydroxy-1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate
• 英文别名: [2-hydroxy-1-(methoxymethylcarbamoyl)ethyl]carbamic acid tert-butyl ester；N~2~-(tert-Butoxycarbonyl)-N-methoxy-N-methylserinamide；tert-butyl N-[3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
• CAS: 209905-48-6
• 化学式: C₁₀H₂₀N₂O₅
• 分子量: 248.279
• InChiKey: DJHNFMPUFGYKTR-UHFFFAOYSA-N

物化性质

• 熔点：
  115-116 °C
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  88.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl-3-hydroxy-1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate 在 咪唑 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 tert-butyl-1-(tert-butyldimethylsilyloxy)-3-oxopentan-2-ylcarbamate
  参考文献：
  名称：

  A New Family of Small Molecules To Probe the Reactivation of Mutant p53

  摘要：

  Cells that express mutant p53 derived from cancers are selectively killed by a new class of small organic molecules. The protein p53 is recognized as one of the most important guardians in the body that prevents tumor development. Mutant forms of p53 are present in approximately 50% of all human cancers. Molecules that selectively kill cells expressing mutant p53 could become important chemotherapeutic agents. Our research focuses on developing a synthetically accessible class of molecules that can be easily modified to examine structural activity relationships and mechanism of biological activity or to optimize for anticancer activity. In this communication, a new class of molecules that selectively arrests growth of cells expressing two forms of mutant p53 is described. Synthetic routes to these compounds are also presented.

  DOI：

  10.1021/ja045752y
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 76.25h， 生成 tert-butyl-3-hydroxy-1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate
  参考文献：
  名称：

  铜介导的1-取代的酰胺，二烯酰胺和三烯酰胺的环化：区域化学，靛类形成和甲基迁移-芳香化

  摘要：

  铜介导的活化的1-取代的酰胺的环化反应是通过5-内基自由基-极性交换过程进行的。三氯乙酰基衍生物可在环化后进一步反应（消除HCl或可能通过类铜铜中间体二聚化）。衍生自β-紫罗兰酮的α-卤代三烯酰胺的反应分别通过4- exo或5- exo环化来提供β-或γ-内酰胺，这取决于所经历的酰胺互变异构体。对于反应性较低的二氯乙酰胺衍生物，观察到在环化之前竞争性的区域选择性甲基迁移-芳香化。

  DOI：

  10.1016/j.tetlet.2016.06.009

文献信息

• [EN] PROCESS FOR PREPARATION OF SACUBUTRIL INTERMEDIATE<br/>[FR] PROCÉDÉ DE PRÉPARATION D'INTERMÉDIAIRE DE SACUBUTRIL
  申请人：DR REDDY'S LABORATORIES LTD

  公开号：WO2017203474A1

  公开（公告）日：2017-11-30

  The present application relates to a process for preparation of tert-butyl (R)-(1-([1,1'-biphenyl]-4- yl)-3-hydroxypropan-2-yl)carbamate (IA). The compound of formula (IA) may be used as an intermediate for the preparation of sacubitril.

  本申请涉及一种制备叔丁基(R)-(1-([1,1'-联苯基]-4-基)-3-羟基丙基)氨基甲酸叔丁酯(IA)的过程。化合物IA的分子式可用作沙库比特里尔的制备中间体。
• Compounds and related methods for mutant p53 reactivation
  申请人：Appella H. Daniel

  公开号：US20050245616A1

  公开（公告）日：2005-11-03

  Ketoamine compounds and related methods for reactivation of tumor suppressor protein p53.

  Ketoamine化合物和相关方法用于重新激活肿瘤抑制蛋白p53。
• Compounds and Related Methods for Mutant p53 Reactivation
  申请人：Appella Daniel H.

  公开号：US20080206805A1

  公开（公告）日：2008-08-28

  Ketoamine compounds and related methods for reactivation of tumor suppressor protein p53.

  Ketoamine化合物及其相关方法，用于重新激活肿瘤抑制蛋白p53。
• Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders
  申请人：Tranzyme Pharma, Inc.

  公开号：EP2431380A2

  公开（公告）日：2012-03-21

  The present invention provides conformationally-defined macrocyclic compounds that bind to and/or are functional modulators of the motilin receptor including subtypes, isoforms and/or variants thereof. These macrocyclic compounds, at a minimum, possess adequate pharmacological properties to be useful as therapeutics for a range of disease indications. In particular, these compounds are useful for treatment and prevention of disorders characterized by hypermotilinemia and/or gastrointestinal hypermotility, including, but not limited to, diarrhea, cancer treatment-related diarrhea, cancer-induced diarrhea, chemotherapy-induced diarrhea, radiation enteritis, radiation-induced diarrhea, stress-induced diarrhea, chronic diarrhea, AIDS-related diarrhea, C. difficile associated diarrhea, traveller's diarrhea, diarrhea induced by graph versus host disease, other types of diarrhea, dyspepsia, irritable bowel syndrome, chemotherapy-induced nausea and vomiting (emesis) and post-operative nausea and vomiting and functional gastrointestinal disorders. In addition, the compounds possess utility for the treatment of diseases and disorders characterized by poor stomach or intestinal absorption, such as short bowel syndrome, celiac disease and cachexia. The compounds also have use for the treatment of inflammatory diseases and disorders of the gastrointestinal tract, such as inflammatory bowel disease, ulcerative colitis, Crohn's disease and pancreatitis. Accordingly, methods of treating such disorders and pharmaceutical compositions including compounds of the present invention are also provided.

  本发明提供了与动情素受体（包括其亚型、同工型和/或变体）结合和/或作为其功能调节剂的构象明确的大环化合物。这些大环化合物至少具有足够的药理特性，可作为一系列疾病适应症的治疗药物。特别是，这些化合物可用于治疗和预防以高胰岛素血症和/或胃肠道高运动性为特征的疾病，包括但不限于腹泻、癌症治疗相关性腹泻、癌症诱导性腹泻、化疗诱导性腹泻、放射性肠炎、放射性诱导性腹泻、压力诱导性腹泻、慢性腹泻、艾滋病相关性腹泻、艰难梭菌相关性腹泻、C.腹泻、艰难梭菌相关性腹泻、旅行者腹泻、图形对宿主疾病诱发的腹泻、其他类型的腹泻、消化不良、肠易激综合征、化疗诱发的恶心和呕吐（呃逆）、术后恶心和呕吐以及功能性胃肠功能紊乱。此外，这些化合物还可用于治疗以胃或肠吸收不良为特征的疾病和失调，如短肠综合征、乳糜泻和恶病质。这些化合物还可用于治疗胃肠道炎症性疾病和紊乱，如炎症性肠病、溃疡性结肠炎、克罗恩病和胰腺炎。因此，还提供了治疗此类疾病的方法和包括本发明化合物的药物组合物。
• COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS
  申请人：Mutabilis

  公开号：EP3300736A1

  公开（公告）日：2018-04-04

  The present invention relates to composition comprising : - at least one antibiotic chosen among: Amoxicillin, Amikacin, Aztreonam, Ciprofloxacin, Clindamycin, Chloramphenicol, Colistin, Cefpirome, Ceftriaxone, Cefotaxime, Daptomycin, Erythromycin, Cefepime, Cefixime, Fosfomycin, Cefuroxime, Imipenem, Linezolid, Meropenem, Piperacillin, Cefpodoxime, Rifampicine, Synercid, Tigecycline, Vancomycin, Sulbactam, Ceftaroline, Cefiderocol (S-649266) or BAL30072; and - at least one compound of formula (I) and a racemate, an enantiomer, a diastereoisomer, a geometric isomer or a pharmaceutically acceptable salt of the compound of formula (I).

  本发明涉及包含以下成分的组合物： - 至少一种抗生素，选自阿莫西林、阿米卡星、氨曲南、环丙沙星、克林霉素、氯霉素、可乐定、头孢匹罗、头孢曲松、头孢噻肟、达托霉素、红霉素、头孢吡肟、头孢克肟、磷霉素、头孢呋辛、亚胺培南、利奈唑胺、美罗培南、哌拉西林、头孢泊多、头孢呋辛、亚胺培南、利奈唑胺、美罗培南、哌拉西林、哌拉西林、哌拉西林、哌拉西林、哌拉西林、头孢呋辛、亚胺培南、利奈唑胺、美罗培南、哌拉西林、头孢泊肟、利福平、希奈西德、替加环素、万古霉素、舒巴坦、头孢他啶、头孢克洛（S-649266）或 BAL30072；和 - 至少一种式 (I) 的化合物 以及式（I）化合物的外消旋体、对映体、非对映异构体、几何异构体或药学上可接受的盐。