2,2-二甲基-3-苯基丙酰胺 | 101518-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,2-二甲基-3-苯基丙酰胺
• 英文名称: 2,2-dimethyl-3-phenylpropanamide
• 英文别名: 2,2-dimethyl-3-phenyl-propionic acid amide；2,2-Dimethyl-3-phenyl-propionsaeure-amid；Dimethyl-benzyl-acetamid
• CAS: 101518-61-0
• 化学式: C₁₁H₁₅NO
• 分子量: 177.246
• InChiKey: NDEOSECSPZDGTI-UHFFFAOYSA-N

物化性质

• 熔点：
  99-100 °C(Solv: ligroine (8032-32-4))
• 沸点：
  344.1±21.0 °C(Predicted)
• 密度：
  1.026±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  2,2-二甲基-3-苯基丙酰胺 在 calcium hydroxide 、 次溴酸钾 、 乙醚 、 水 作用下， 生成 N-(1,1-dimethyl-2-phenyl-ethyl)-N'-phenyl-urea
  参考文献：
  名称：

  Mentzer, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1941, vol. 213, p. 581,583

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二氢-2,2-二甲基茚-1-酮 在 氨 、 sodium amide 作用下， 生成 2,2-二甲基-3-苯基丙酰胺
  参考文献：
  名称：

  414.芳族化合物与叔酸衍生物之间的反应。第一部分：叔芳族酰氯的环化

  摘要：

  DOI：

  10.1039/jr9490001946

文献信息

• [EN] SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1<br/>[FR] PYRIDINES SUBSTITUÉES EN TANT QU'INHIBITEURS DE DNMT1
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017216726A1

  公开（公告）日：2017-12-21

  The invention is directed to substituted pyridine derivatives. Specifically, the invention is directed to compounds according to Formula (Iar): (Iar) wherein Yar, X1ar, X2ar, R1ar, R2ar, R3ar, R4ar and R5ar are as defined herein; or a pharmaceutically acceptable salt or prodrug thereof. The compounds of the invention are selective inhibitors of DNMT1 and can be useful in the treatment of cancer, pre-cancerous syndromes, beta hemoglobinopathy disorders, sickle cell disease, sickle cell anemia, and beta thalassemia, and diseases associated with DNMT1 inhibition. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting DNMT1 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  该发明涉及取代吡啶衍生物。具体而言，该发明涉及符合以下式（Iar）的化合物：（Iar）其中Yar、X1ar、X2ar、R1ar、R2ar、R3ar、R4ar和R5ar如本文所定义；或其药学上可接受的盐或前药。该发明的化合物是DNMT1的选择性抑制剂，可用于治疗癌症、癌前综合征、β血红蛋白病、镰状细胞病、镰状细胞贫血、β地中海贫血以及与DNMT1抑制相关的疾病。因此，该发明进一步涉及包含该发明化合物的药物组合物。该发明还进一步涉及使用该发明化合物或包含该发明化合物的药物组合物抑制DNMT1活性和治疗相关疾病的方法。
• [EN] AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE<br/>[FR] COMPOSÉS AMINO HÉTÉROARYLES COMME MODULATEURS DE LA BÊTA-SECRÉTASE ET PROCÉDÉS D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2011063233A1

  公开（公告）日：2011-05-26

  The present invention comprises a new class of compounds useful for the modulation of Beta-secretase enzyme activity and for the treatment of Beta-secretase mediated diseases, including Alzheimer's disease (AD) and related conditions. In one embodiment, the compounds have a general Formula I wherein ring A, B1, B2, B3, L, R1, R4, R5 and m of Formula I are defined herein. The invention also includes use of these compounds in pharmaceutical compositions for treatment, prophylactic or therapeutic, of disorders and conditions related to the activity of beta-secretase protein. Such disorders include, for example, Alzheimer's Disease (AD), cognitive deficits, cognitive impairment, schizophrenia and other central nervous system conditions related to and/or caused by the formation and/or deposition of plaque on the brain. The invention also comprises further embodiments of Formula I, intermediates and processes useful for the preparation of compounds of Formula I.

  本发明涵盖了一类新化合物，用于调节β-分泌酶酶活性，治疗由β-分泌酶介导的疾病，包括阿尔茨海默病（AD）和相关疾病。在一个实施例中，这些化合物具有一般的化学式I，其中化合物I的环A、B1、B2、B3、L、R1、R4、R5和m在此定义。该发明还包括将这些化合物用于制备药物组合物，用于治疗与β-分泌酶蛋白活性相关的疾病和症状，包括例如阿尔茨海默病（AD）、认知缺陷、认知损害、精神分裂症和其他与大脑斑块形成和/或沉积有关和/或由此引起的中枢神经系统疾病。该发明还包括化合物I的进一步实施例、中间体和用于制备化合物I的过程。
• Associated Injuries Found in Chronic Lateral Ankle Instability
  作者：Benedict F. DiGiovanni、Carlos J. Fraga、Bruce E. Cohen、Michael J. Shereff

  DOI：10.1177/107110070002101003

  日期：2000.10

  Sixty-one patients underwent a primary ankle lateral ligament reconstruction for chronic instability between 1989 and 1996. In addition to the ligament reconstruction, all patients had evaluation of the peroneal retinaculum, peroneal tendon inspection by routine opening of the tendon sheath, and ankle joint inspection by arthrotomy. A retrospective review of the clinical history, physical exam, MRI examination, and intraoperative findings was conducted on these 61 patients. The purpose was to determine the type and frequency of associated injuries found at surgery and during the preoperative evaluation. At surgery no patients were found to have isolated lateral ligament injury. Fifteen different associated injuries were noted. The injuries found most often by direct inspection included: peroneal tenosynovitis, 47/61 patients (77%); anterolateral impingement lesion, 41/61 (67%); attenuated peroneal retinaculum, 33/61 (54%); and ankle synovitis, 30/61 (49%). Other less common but significant associated injuries included: intra-articular loose body, 16/61 (26%); peroneus brevis tear, 15/61 (25%); talus osteochondral lesion, 14/61 (23%); medial ankle tendon tenosynovitis, 3/61 (5%). The findings of this study indicate there is a high frequency of associated injuries in patients with chronic lateral ankle instability. Peroneal tendon and retinacular pathology, as well as anterolateral impingement lesions, occur most often. A high index of suspicion for possible associated injuries may result in more consistent outcomes with nonoperative and operative treatment of patients with chronic lateral ankle instability.

  从1989年到1996年，61名患者接受了原发性踝侧韧带重建手术，治疗慢性不稳定。除了韧带重建手术外，所有患者均进行了腓骨韧带韧带鞘常规开放检查、踝关节关节镜检查。对这61名患者的临床病史、体格检查、MRI检查和术中发现进行了回顾性分析，目的是确定手术和术前评估中发现的相关损伤类型和频率。手术中未发现任何患者存在单独的侧韧带损伤，发现了15种不同的相关损伤。直接检查发现的最常见损伤包括：腓骨韧带滑囊炎，47/61例患者（77%）；前外侧撞击损伤，41/61例（67%）；腓骨韧带韧带鞘变薄，33/61例（54%）；以及踝关节滑膜炎，30/61例（49%）。其他不太常见但显著的相关损伤包括：关节内游离体，16/61例（26%）；短腓骨肌撕裂，15/61例（25%）；距骨软骨病变，14/61例（23%）；内踝腱鞘滑囊炎，3/61例（5%）。本研究的发现表明，慢性侧踝不稳定患者存在高频率的相关损伤。腓骨韧带和韧带鞘病变以及前外侧撞击损伤最常见。对可能存在相关损伤的患者进行高度怀疑可能会导致慢性侧踝不稳定患者的非手术和手术治疗结果更加一致。
• Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use
  申请人：Cheng Yuan

  公开号：US20120329830A1

  公开（公告）日：2012-12-27

  The present invention comprises a new class of compounds useful for the modulation of Beta-secretase enzyme activity and for the treatment of Beta-secretase mediated diseases, including Alzheimer's disease (AD) and related conditions. In one embodiment, the compounds have a general Formula I wherein ring A, B 1 , B 2 , B 3 , L, R 1 , R 4 , R 5 and m of Formula I are defined herein. The invention also includes use of these compounds in pharmaceutical compositions for treatment, prophylactic or therapeutic, of disorders and conditions related to the activity of beta-secretase protein. Such disorders include, for example, Alzheimer's Disease (AD), cognitive deficits, cognitive impairment, schizophrenia and other central nervous system conditions related to and/or caused by the formation and/or deposition of plaque on the brain. The invention also comprises further embodiments of Formula I, intermediates and processes useful for the preparation of compounds of Formula I.

  本发明涉及一类新的化合物，可用于调节β-分泌酶酶活性和治疗β-分泌酶介导的疾病，包括阿尔茨海默病（AD）和相关疾病。在一种实施例中，所述化合物具有一般式I，其中环A、B1、B2、B3、L、R1、R4、R5和m在本文中有定义。本发明还包括使用这些化合物制备药物组合物，用于治疗与β-分泌酶蛋白活性相关的疾病和症状，例如阿尔茨海默病（AD）、认知缺陷、认知障碍、精神分裂症以及与大脑斑块形成和/或沉积相关和/或由其引起的其他中枢神经系统疾病。本发明还包括式I的进一步实施例、中间体和用于制备式I化合物的过程。
• Process for polymerizing epsilon-caprolactam
  申请人：UNITIKA LTD.

  公开号：EP0522533A1

  公开（公告）日：1993-01-13

  A process for forming an ultra-high molecular weight nylon 6 by polymerizing ε-caprolactam, which comprises heating substantially anhydrous ε-caprolactam at a temperature of from 100 to 200°C in the presence of (a) a main catalyst selected from a Grignard compound and a halogenated magnesium lactamate, (b) a co-catalyst selected from an acyl lactam compound and an isocyanic acid ester and (c) at least one activator selected from the group consisting of amides, sulfoxides, thioethers and phosphoric esters. According to this inventive process, an ultra-high molecular weight nylon 6 can be produced within a short period of time, making use of industrially advantageous compounds which are stable in air, hardly dangerous and inexpensive. Being free from cross-linkings, the ultra-high molecular weight nylon 6 obtained by the process of this invention is soluble in various solvents and is useful as a starting material for the production of high strength and high modulus materials.

  一种通过聚合ε-己内酰胺形成超高分子量尼龙 6 的工艺，包括在 100 至 200°C 的温度下，在以下物质存在的情况下加热基本无水的ε-己内酰胺：(a) 主催化剂，选自格氏化合物和卤代内酰胺镁、(b) 选自酰基内酰胺化合物和异氰酸酯的助催化剂，以及 (c) 至少一种选自酰胺、硫醚、硫醚和磷酸酯的活化剂。根据本发明的工艺，可以在短时间内生产出超高分子量尼龙 6，利用的是在空气中稳定、几乎没有危险且价格低廉的工业优势化合物。由于不存在交联，通过本发明工艺获得的超高分子量尼龙 6 可溶于各种溶剂，可用作生产高强度和高模量材料的起始材料。