(S)-3-氨基-2-甲基-2-羟基丁烷 | 74608-26-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (S)-3-氨基-2-甲基-2-羟基丁烷
• 英文名称: (S)-3-amino-2-methylbutan-2-ol
• 英文别名: (S)-3-amino-2-methylbutane-2-ol；(3S)-3-amino-2-methylbutan-2-ol
• CAS: 74608-26-7
• 化学式: C₅H₁₃NO
• 分子量: 103.164
• InChiKey: OVKDLPZRDQTOJW-BYPYZUCNSA-N

物化性质

• 沸点：
  178.2±13.0 °C(Predicted)
• 密度：
  0.915±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  4-(4-fluorophenyl)-1,2-dimethyl-5-(2-methanesulfonyl-pyrimidin-4-yl)-1,2-dihydropyrazol-3-one 、 (S)-3-氨基-2-甲基-2-羟基丁烷 以 甲苯 为溶剂， 生成 4-(4-fluorophenyl)-5-[2-(2-hydroxy-1-(S)-methyl-2-methylpropylamino)-pyrimidin-4-yl]-1,2-dimethyl-1,2-dihydropyrazol-3-one
  参考文献：
  名称：

  The development of monocyclic pyrazolone based cytokine synthesis inhibitors

  摘要：

  4-Aryl-5-pyrimidyl based cytokine synthesis inhibitors that contain a novel monocyclic, pyrazolone heterocyclic core are described. Many of these inhibitors showed low nanomolar activity against LPS-induced TNF-alpha production. One of the compounds (6e) was found to be efficacious in the rat iodoacetate (RIA) in vivo model of osteoarthritis. The X-ray crystal structure of a pyrazolone inhibitor cocrystallized with mutated p38 (mp38) is presented.

  DOI：

  10.1016/j.bmcl.2005.03.007
• 作为产物：
  描述：

  3-氨基-2-甲基-丁烷-2-醇 在 乙醇 、 L-酒石酸 、 丙酮 作用下， 生成 (S)-3-氨基-2-甲基-2-羟基丁烷
  参考文献：
  名称：

  89.一些旋光胺和氨基酸的立体化学关系。第一部分。缬氨酸的配置

  摘要：

  DOI：

  10.1039/jr9350000410

文献信息

• [EN] 2-HETEROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES FOR THE TREATMENT OF CANCER<br/>[FR] 2-HÉTÉROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES POUR LE TRAITEMENT DU CANCER
  申请人：BAYER AG

  公开号：WO2018146010A1

  公开（公告）日：2018-08-16

  The present invention covers 2-heteroaryl-3-oxo-2,3-dihydropyridazine-4-carboxamide compounds of general formula (I), in which X, R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of cancer or conditions with dysregulated immune responses or other disorders associated with aberrant AHR signaling, as a sole agent or in combination with other active ingredients.

  本发明涵盖了一般式(I)的2-杂环芳基-3-酮基-2,3-二氢吡啶嗪-4-羧酰胺化合物，其中X、R1、R2、R3、R4和R5如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是癌症或与异常AHR信号传导相关的疾病，或与失调免疫反应或其他与异常AHR信号传导相关的疾病，作为单一药剂或与其他活性成分组合使用。
• [EN] PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] DÉRIVÉS DE PIPÉRIDINE EN TANT QUE MODULATEURS D'ACTIVITÉ DE RÉCEPTEUR DE CHIMIOKINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009015166A1

  公开（公告）日：2009-01-29

  The present application describes modulators of MIP-1 of formula (I) : or stereoisomers or pharmaceutically acceptable salts thereof, wherein m, Q, T, W, Z, R1, R3, R4, R5, R5a and R5b, are as set forth above. In addition, methods of treating and preventing inflammatory diseases such as asthma and allergic diseases, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis using the modulators are disclosed.

  本申请描述了公式（I）的MIP-1调节剂：或其立体异构体或药用可接受的盐，其中m、Q、T、W、Z、R1、R3、R4、R5、R5a和R5b如上所述。此外，还公开了利用这些调节剂治疗和预防哮喘和过敏性疾病等炎症性疾病，以及类风湿关节炎和动脉粥样硬化等自身免疫病理的方法。
• 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT
  申请人：Janssen Pharmaceutica NV

  公开号：US20170313691A1

  公开（公告）日：2017-11-02

  The present invention comprises compounds of Formula I. wherein: A 1 , A 2 , A 3 , A 4 , A 5 , R 1 , and R 2 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein the syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明涵盖了Formula I的化合物。 其中： A1，A2，A3，A4，A5，R1和R2在说明书中有定义。 该发明还涵盖了一种治疗或改善综合症、疾病或疾病的方法，其中该综合症、疾病为类风湿性关节炎或牛皮癣。该发明还涵盖了通过给哺乳动物施用Formula I中至少一种化合物的治疗有效量来调节RORγt活性的方法。
• 6-Substituted pyrido-pyrimidines
  申请人：——

  公开号：US20030171584A1

  公开（公告）日：2003-09-11

  The present invention provides compounds of the Formula I and II: 1 wherein R 1 , R 3 , W, Z, X 1 , X 2 , Ar 1 , R 8 and R 9 are as defined herein, and methods and intermediates for their preparation and uses thereof.

  本发明提供了化合物I和II的结构：其中R1、R3、W、Z、X1、X2、Ar1、R8和R9如本文所定义，并提供它们的制备方法和中间体以及它们的用途。
• Benzoxaborole Antimalarial Agents. Part 5. Lead Optimization of Novel Amide Pyrazinyloxy Benzoxaboroles and Identification of a Preclinical Candidate
  作者：Yong-Kang Zhang、Jacob J. Plattner、Eric E. Easom、Robert T. Jacobs、Denghui Guo、Yvonne R. Freund、Pamela Berry、Vic Ciaravino、John C. L. Erve、Philip J. Rosenthal、Brice Campo、Francisco-Javier Gamo、Laura M. Sanz、Jianxin Cao

  DOI：10.1021/acs.jmedchem.7b00621

  日期：2017.7.13

  resistant to chloroquine and pyrimethamine. The rapid parasite in vitro reduction and in vivo parasite clearance profile of 46 were similar to those of artemisinin and chloroquine, two rapid-acting antimalarials. It was nongenotoxic in an Ames assay, an in vitro micronucleus assay, and an in vivo rat micronucleus assay when dosed orally up to 2000 mg/kg. The combined properties of this novel benzoxaborole

  为了确定具有令人满意的抗疟活性，理化性质，药代动力学特征，体内功效和安全性特征的分子，对羧酰胺基吡嗪酰氧基苯并氧杂硼酸酯进行了研究。这项优化工作发现了46个，满足了我们的目标候选人档案。化合物46对培养的恶性疟原虫具有优异的活性，并且在感染的小鼠体内对恶性疟原虫和伯氏疟原虫具有体内活性。它在小鼠，大鼠和狗中表现出良好的PK特性。它对其他11种恶性疟原虫非常活跃菌株，大多数对氯喹和乙胺嘧啶有抗性。46种体外快速寄生虫减少和体内寄生虫清除率特征与青蒿素和氯喹（两种速效抗疟药）相似。当口服剂量高达2000 mg / kg时，在Ames分析，体外微核分析和体内大鼠微核分析中均无遗传毒性。这种新颖的苯并氧杂硼酸酯的综合性能支持其向临床前发展的进程。