tert-butyl (3-((tert-butyldimethylsilyl)oxy)-2-hydroxypropyl)carbamate | 195197-94-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: tert-butyl (3-((tert-butyldimethylsilyl)oxy)-2-hydroxypropyl)carbamate
• 英文别名: Tert-butyl 3-(tert-butyldimethylsilyloxy)-2-hydroxypropylcarbamate；tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamate
• CAS: 195197-94-5
• 化学式: C₁₄H₃₁NO₄Si
• 分子量: 305.49
• InChiKey: ZODMDGQSPVUKOB-UHFFFAOYSA-N

物化性质

• 沸点：
  376.5±37.0 °C(Predicted)
• 密度：
  0.979±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.89
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  67.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (3-((tert-butyldimethylsilyl)oxy)-2-hydroxypropyl)carbamate 在 戴斯-马丁氧化剂 、 溶剂黄146 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 3.0h， 生成 (R)-[3-(6,8-difluorochroman-3-yl)-2-thioxo-2,3-dihydro-1H-imidazol-4-ylmethyl]carbamic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Novel, Peripherally Selective Chromanyl Imidazolethione-Based Inhibitors of Dopamine β-Hydroxylase

  摘要：

  A novel series of dopamine beta-hydroxylase (DBH) inhibitors was designed and synthesized incorporating modifications to the core structure of nepicastat 3, with the principal aim of discovering potent DBH inhibitors exerting minimal effects on dopamine (DA) and noradrenaline (NA) levels in the central nervous system. This study resulted in the identification of a potent, peripherally selective DBH inhibitor, (R)-5-(2-aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione hydrochloride 54 (BIA 5-453). In experiments in mice and rats at T-max (9 h after administration), 54 reduced NA levels in a dose-dependent manner in both the left atrium and the left ventricle, with the maximal inhibitory effect attained at a dose of 100 mg/kg. In contrast to that found in the heart, 54 failed to affect NA tissue levels in the brain. Compound 54 is thus presented as a candidate for clinical evaluation for the treatment of chronic heart failure and hypertension.

  DOI：

  10.1021/jm051051f
• 作为产物：
  描述：

  3-氨基-1,2-丙二醇 以97.3的产率得到tert-butyl (3-((tert-butyldimethylsilyl)oxy)-2-hydroxypropyl)carbamate
  参考文献：
  名称：

  Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof

  摘要：

  本文描述了替代的3-卤代烯丙胺衍生物的制备和药物应用作为SSAO/VAP-1抑制剂，其结构式为I式。还描述了使用I式化合物或其药学上可接受的盐或衍生物治疗各种疾病的方法，例如炎症性疾病、眼部疾病、纤维化疾病、糖尿病诱导的疾病和癌症。

  公开号：

  US09302986B2

文献信息

• Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US09273058B2

  公开（公告）日：2016-03-01

  The invention provides compounds of Formula (I): and pharmaceutically acceptable salts thereof. The compounds of Formula (I) inhibit protein kinase activity thereby making them useful as anticancer agents.

  本发明提供了式(I)的化合物： 及其药用可接受的盐。式(I)的化合物通过抑制蛋白激酶活性，使其作为抗肿瘤剂具有用途。
• Heterocyclic Compound
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20180155333A1

  公开（公告）日：2018-06-07

  The present invention provide a compound having an orexin receptor antagonistic activity, which is expected to be useful as medicaments such as agents for the prophylaxis or treatment of sleep disorder, depression, anxiety disorder, panic disorder, schizophrenia, drug dependence, Alzheimer's disease and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有促醒素受体拮抗活性的化合物，预计可用作药物，如预防或治疗睡眠障碍、抑郁症、焦虑症、恐慌症、精神分裂症、药物依赖、阿尔茨海默病等的药剂。 本发明涉及由以下式（I）表示的化合物： 其中每个符号如规范中定义，或其盐。
• [EN] SSAO INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE SSAO ET LEURS UTILISATIONS
  申请人：METACRINE INC

  公开号：WO2019241751A1

  公开（公告）日：2019-12-19

  Described herein are compounds that are semicarbazide-sensitive amine oxidase (SSAO) inhibitors, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in treating or preventing a liver disease or condition.

  本文描述了一些半羧肼敏感胺氧化酶（SSAO）抑制剂化合物，制备这类化合物的方法，包括这类化合物的药物组合物和药物，以及使用这类化合物治疗或预防肝脏疾病或症状的方法。
• Kinase inhibitors
  申请人：——

  公开号：US20030187026A1

  公开（公告）日：2003-10-02

  Compounds having the formula 1 are useful for inhibiting protein kinases. Also disclosed are compositions which inhibit protein kinases and methods of inhibiting protein kinases in a patient.

  具有以下化学式的化合物对抑制蛋白激酶很有用。还公开了抑制蛋白激酶的组合物以及在患者中抑制蛋白激酶的方法。
• [EN] VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF<br/>[FR] MODULATEURS DE PROTÉINE 1 D'ADHÉSION VASCULAIRE (VAP -1) ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：BLADE THERAPEUTICS INC

  公开号：WO2020006177A1

  公开（公告）日：2020-01-02

  Disclosed herein are small molecule Vascular Adhesion Protein- 1 (VAP-1) modulator compositions, pharmaceutical compositions, the use and preparation thereof.

  本文披露了小分子血管粘附蛋白-1（VAP-1）调节剂组合物、药物组合物及其使用和制备方法。