4-methoxy-3-methylbutanoic acid | 100862-21-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-methoxy-3-methylbutanoic acid
• 英文别名: γ-methoxy-isovaleric acid；γ-Methoxy-isovaleriansaeure；γ-Methoxy-β-methyl-buttersaeure
• CAS: 100862-21-3
• 化学式: C₆H₁₂O₃
• mdl: MFCD16787591
• 分子量: 132.159
• InChiKey: IQJOSTZQDFYIJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methoxy-3-methylbutanoic acid 、 4-(2-hydrazinylpyridin-4-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine 在 1-羟基苯并三唑 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 4-(3-(3-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
  参考文献：
  名称：

  [EN] SERINE/THREONINE KINASE INHIBITORS
  [FR] INHIBITEURS DE SÉRINE/THRÉONINE KINASES

  摘要：

  提供具有公式I的化合物或其立体异构体、互变异构体或药用可接受盐，这些化合物用于治疗疾病。公开了使用公式I的化合物或其立体异构体、互变异构体或药用可接受盐，用于体外、原位和体内诊断、预防或治疗此类疾病或相关病理状况的方法。

  公开号：

  WO2015103137A1
• 作为产物：
  描述：

  Methyl-methoxy-methyl-malonsaeure-diethylester 在 sodium hydroxide 、 氯化亚砜 作用下， 生成 4-methoxy-3-methylbutanoic acid
  参考文献：
  名称：

  Wagner, Journal of the American Chemical Society, 1949, vol. 71, p. 3216

  摘要：

  DOI：

文献信息

• [EN] AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS DE L'ACIDE 3-HÉTÉROAROYLAMINO-PROPIONIQUE AMINO SUBSTITUÉS ET LEUR UTILISATION EN TANT QUE PRODUITS PHARMACEUTIQUES
  申请人：SANOFI SA

  公开号：WO2012101199A1

  公开（公告）日：2012-08-02

  Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals The present invention relates to compounds of the formula (I), wherein A, D, E, G, R10 R11, R30 R40 R50 and R60 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. They are inhibitors of the protease cathepsin A, and are useful for the treatment of diseases such as atherosclerosis, heart failure, renal diseases, liver diseases or inflammatory diseases, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  氨基取代的3-杂环酰胺基丙酸衍生物及其作为药物的用途。本发明涉及式(I)的化合物，其中A、D、E、G、R10、R11、R30、R40、R50和R60具有权利要求中所示的含义，它们是有价值的药用活性化合物。它们是蛋白酶卡特普西A的抑制剂，可用于治疗动脉粥样硬化、心力衰竭、肾脏疾病、肝脏疾病或炎症性疾病等疾病。此外，本发明还涉及制备式I化合物的方法、它们的用途以及包含它们的药物组合物。
• [EN] BENZIIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS SODIUM CHANNEL MODULATORS<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDINE ET DE BENZIIMIDAZOLE EN TANT QUE MODULATEURS DU CANAL SODIUM
  申请人：PFIZER

  公开号：WO2013114250A1

  公开（公告）日：2013-08-08

  The invention relates to benzimidazole and imidazopyridine derivatives, to their use in medicine, to compositions containing them, to processes for their preparation and to intermediates used in such processes. More particularly the invention relates to new Nav1.8 modulators of formula (I) or pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6, R7. X and Y are as defined in the description. Nav1.8 modulators are potentially useful in the treatment of a wide range of disorders, particularly pain.

  这项发明涉及苯并咪唑和咪唑吡啶衍生物，它们在药物中的应用，含有它们的组合物，它们的制备方法以及用于这些方法的中间体。更具体地，该发明涉及公式(I)的新Nav1.8调节剂或其药用盐，其中R1、R2、R3、R4、R5、R6、R7、X和Y如描述中所定义。Nav1.8调节剂在治疗各种疾病，特别是疼痛方面，具有潜在的用途。
• [EN] POLYMERISABLE PHOTOINITIATORS FOR LED CURABLE COMPOSITIONS<br/>[FR] PHOTOINITIATEURS POLYMÉRISABLES POUR COMPOSITIONS DURCISSABLES PAR LED
  申请人：AGFA GEVAERT

  公开号：WO2012052288A1

  公开（公告）日：2012-04-26

  A polymerisable photoinitiator according to Formula (I): wherein: R1 and R2 are independently selected from the group consisting of hydrogen, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted alkynyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted alkaryl group, a substituted or unsubstituted aryl or heteroaryl group, a halogen, an ether group, a thioether group, an aldehyde group, a ketone group, an ester group, an amide group, an amine and a nitro group; R1 and R2 may represent the necessary atoms to form a five to eight memberering; L represents an n+m-valent linking group comprising 1 to 30 carbon atoms; A represents a radically polymerizable group selected from the group consisting of an acrylate group, a methacrylate group, a styrene group, an acryl amide group a methacryl amide group, a maleate group, a fumarate group, an itaconate group, a vinyl ether group, an allyl ether group, a vinyl ester group and an allyl ester group;and n and m independently represent an integer from 1 to 5. Methods for preparing the polymerisable photoinitiator and radiation curable compositions including the polymerisable photoinitiator are also disclosed.

  根据公式（I）提供的可聚合光引发剂：其中：R1和R2独立地选自包括氢，取代或未取代的烷基，取代或未取代的烯基，取代或未取代的炔基，取代或未取代的芳基烷基，取代或未取代的烷基芳基基，取代或未取代的芳基或杂芳基，卤素，醚基，硫醚基，醛基，酮基，酯基，酰胺基，胺基和硝基的群; R1和R2可以表示形成五到八成员环所必需的原子; L表示1到30个碳原子的n+m价键连接基；A表示选自包括丙烯酸酯基，甲基丙烯酸酯基，苯乙烯基，丙烯酰胺基，甲基丙烯酰胺基，马来酸酯基，富马酸酯基，顺丁烯二酸酯基，乙烯醚基，烯丙醚基，乙烯酸酯基和烯丙酸酯基的自由基聚合基团; n和m独立地表示1到5的整数。还公开了制备可聚合光引发剂和包括可聚合光引发剂的辐射可固化组合物的方法。
• [EN] PHOTOINITIATORS FOR UV-LED CURABLE COMPOSITIONS AND INKS<br/>[FR] PHOTOINITIATEURS POUR COMPOSITIONS DURCISSABLES PAR DEL UV ET ENCRES
  申请人：AGFA GEVAERT

  公开号：WO2011069947A1

  公开（公告）日：2011-06-16

  A specific type of carbazole photoinitiator is capable of providing radiation curable compositions that are curable by UV LEDs and do not exhibit an unstable yellowing behaviour in an image upon storage like ITX.

  一种特定类型的咔唑光引发剂能够提供通过紫外LED固化的辐射固化组合物，并且不像ITX那样在存储过程中显示出不稳定的发黄行为。
• [EN] RADIATION CURABLE INKJET INKS FOR INTERIOR DECORATION<br/>[FR] ENCRES POUR JET D'ENCRE DURCISSABLES PAR RAYONNEMENT POUR DÉCORATION INTÉRIEURE
  申请人：AGFA NV

  公开号：WO2020152037A1

  公开（公告）日：2020-07-30

  A radiation curable inkjet ink containing at least one or two compounds selected from the group consisting of a polymerizable compound including a vinylether group or a vinylamide group, an amine synergist including an alkanolamine group or a dimethyl benzoate group, and a Norrish Type II photoinitiator including a photoinitiating moiety selected from the group consisting of a thioxanthone group, a benzophenone group, a ketocoumarin group and a camphorquinone group; and a singlet oxygen quencher including at least one specific amino-thioether group.

  一种辐射固化喷墨墨水，含有至少一种或两种化合物，所选自包括具有乙烯醚基团或乙烯酰胺基团的可聚合化合物、包括烷醇胺基团或二甲基苯甲酸酯基团的胺协同剂以及包括硫氧自由基的光引发剂的诺里斯II型光引发剂，以及包括至少一种特定氨基硫醚基团的单线态氧猝灭剂。