1-Boc-2-甲基肼 | 127799-54-6

• 物质功能分类: 有机原料 - 肼或胲的有机衍生物
• 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
• 中文名称: 1-Boc-2-甲基肼
• 中文别名: 2-甲基肼羧酸叔丁酯；1-BOC-2-甲基肼
• 英文名称: tert-butyl 2-methylhydrazine-1-carboxylate
• 英文别名: tert-butyl 2-methylhydrazinecarboxylate；tert-butyl N-(methylamino)carbamate；1-Boc-2-methylhydrazine；2-Methylhydrazinecarboxylic acid,1,1-dimethylethyl ester
• CAS: 127799-54-6
• 化学式: C₆H₁₄N₂O₂
• 分子量: 146.189
• InChiKey: UZRUVUYVHGPEAP-UHFFFAOYSA-N

物化性质

• 熔点：
  49-51℃
• 密度：
  0.982±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2~8℃

反应信息

• 作为反应物：
  描述：

  1-Boc-2-甲基肼 在 偶氮二甲酸二异丙酯 、 2,4,6-三异丙基苯磺酰叠氮化物 、 双(三甲基硅烷基)氨基钾 、 溶剂黄146 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 5(R,S)-azido-2,3,4,5-tetrahydro-3-methyl-4-oxo-1H-2,3-benzodiazepine-2-carboxylic acid, 1 1-dimethylethyl ester
  参考文献：
  名称：

  Discovery of (S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetamido)-N-((S,Z)-3-methyl-4-oxo-4,5-dihydro-3H-benzo[d][1,2]diazepin-5-yl)propanamide (BMS-433796): A γ-secretase inhibitor with Aβ lowering activity in a transgenic mouse model of Alzheimer’s disease

  摘要：

  We report on the design of benzodiazepin ones as peptidomimetics at the carboxy terminus of hydroxyamides. structure-activity relationships of diazepinones were investigated and orally active gamma-secretase inhibitors were synthesized. Active metabolites contributing to AP reduction were identified by analysis of plasma samples from Tg2576 mice. In particular, (S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetamido)-N-((S,Z)-3-methyl-4-oxo-4,5-dihydro-3H-benzo[d][1,2]diazepin-5-yl)propanamide (BMS-433796) was identified with an acceptable pharmacodynamic and pharmacokinetic profile. Chronic dosing of BMS-433796 in Tg2576 mice suggested a narrow therapeutic window and Notch-mediated toxicity at higher doses. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.082
• 作为产物：
  描述：

  肼基甲酸叔丁酯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 12.5h， 生成 1-Boc-2-甲基肼
  参考文献：
  名称：

  基于N-Boc-Aza1-二肽在肽合成中的应用的氮杂氨基酸扫描快速鉴定二级结构

  摘要：

  氮杂肽是一种肽类似物，其中一个或多个氨基酸残基的α-碳被氮原子取代，表现出采用β-转角构象的倾向。通过引入氮杂氨基酸残基作为 N-Boc-氮杂 (1)-二肽，现已开发出在固相上无外消旋化的氮杂肽合成通用方案。这种方法已通过六个 N-Boc-aza(1)-二肽的合成及其随后引入人降钙素基因相关肽 (hCGRP) 的 C 端肽片段的类似物得到验证。通过对此类拮抗剂肽进行氮杂-氨基酸扫描，合成了一组氮杂-hCGRP 类似物，以检查转角二级结构与生物活性之间的关系。

  DOI：

  10.1021/ja039643f

文献信息

• [EN] COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：ENTASIS THERAPEUTICS INC

  公开号：WO2018208769A1

  公开（公告）日：2018-11-15

  Provided herein are antibacterial compounds represented by Formula I, or a pharmaceutically acceptable salt thereof, wherein X, Y, R4, R5, and R6 are as defined herein. Also provided are pharmaceutical compositions comprising the compounds of Formula I.

  本文提供了由化学式I表示的抗菌化合物，或其药用可接受的盐，其中X、Y、R4、R5和R6如本文所定义。还提供了包含化合物I的药物组合物。
• FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20170275282A1

  公开（公告）日：2017-09-28

  The invention relates to substituted pyridobenzazepine and pyridobenzazocine derivatives and to processes for preparation thereof, and also to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially of cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

  这项发明涉及取代的吡啶苯并脑和吡啶苯并哌啶衍生物，以及其制备方法，还涉及将其用于生产用于治疗和/或预防疾病的药物，特别是心血管疾病，最好是血栓性或血栓栓塞性疾病，水肿，以及眼科疾病。
• Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160052884A1

  公开（公告）日：2016-02-25

  The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

  这项发明涉及替代的氧代吡啶衍生物及其制备方法，以及它们用于制备用于治疗和/或预防疾病的药物，特别是心血管疾病，优选是血栓性或血栓栓塞性疾病、水肿以及眼科疾病。
• 치환된 옥소피리딘 유도체 및 심혈관 장애의 치료에서의 그의 용도
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT 바이엘 파마 악티엔게젤샤프트(519980697332)

  公开号：KR20150137095A

  公开（公告）日：2015-12-08

  본 발명은 하기 화학식 I의 치환된 옥소피리딘 유도체, 및 그의 제조 방법 및 질환, 특히 심혈관 질환, 바람직하게는 혈전성 또는 혈전색전성 질환, 및 부종, 및 또한 안과 장애의 치료 및/또는 예방을 위한 의약의 제조를 위한 그의 용도에 관한 것이다. <화학식 I> 상기 식에서, R1은 하기 화학식의 기이고, 여기서 *는 옥소피리딘 고리에 대한 부착 부위이고, R6은 브로민, 염소, 플루오린, 메틸, 디플루오로메틸, 트리플루오로메틸, 메톡시, 디플루오로메톡시 또는 트리플루오로메톡시이고, R7은 브로민, 염소, 플루오린, 시아노, 니트로, 히드록실, 메틸, 디플루오로메틸, 트리플루오로메틸, 메톡시, 에톡시, 디플루오로메톡시, 트리플루오로메톡시, 에티닐, 3,3,3-트리플루오로프로프-1-인-1-일 또는 시클로프로필이다.

  本发明涉及下式I的取代的氧吡啶衍生物、其制备方法及其在制备治疗和/或预防疾病，特别是心血管疾病，优选血栓性或血栓栓塞性疾病和水肿，以及眼科疾病的药物中的用途。<方案 I>在上式中，R1 是下式的基团，其中 * 是氧吡啶环的连接位点，R6 是溴、氯、氟、甲基、二氟甲基、三氟甲基、甲氧基、二氟甲氧基或三氟甲氧基、R7 是溴、氯、氟、氰基、硝基、羟基、甲基、二氟甲基、三氟甲基、甲氧基、乙氧基、二氟甲氧基、三氟甲氧基、乙炔基、3,3,3-三氟丙-1-炔-1-基或环丙基。
• [EN] NEW 6-ALKYNYL PYRIDINE<br/>[FR] NOUVELLE 6-ALCYNYLE PYRIDINE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015025019A1

  公开（公告）日：2015-02-26

  This invention relates to 6-alkynyl-pyridine of general formula (I), their use as SMAC mimetics, pharmaceutical compositions containing them, and their use as a medicaments for the treatment and/or prevention of diseases characterized by excessive or abnormal cell proliferation and associated conditions such as cancer. The groups R1 to R5 have the meanings given in the claims and in the specification.

  这项发明涉及一般式(I)的6-炔基吡啶，它们作为SMAC模拟物的用途，含有它们的药物组合物，以及它们作为治疗和/或预防由细胞过度或异常增殖引起的疾病及相关症状（如癌症）的药物的用途。基团R1至R5的含义如索赔和说明书中所述。