2-hydroxy-4,4-dimethylpentanoic acid | 65302-98-9

• 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: 2-hydroxy-4,4-dimethylpentanoic acid
• 英文别名: 2-hydroxy-4,4-dimethyl-pentanoic acid；4,4-dimethyl-2(R)-hydroxypentanoic acid；2-hydroxy-4,4-dimethylvaleric acid；2-Hydroxy-4,4-dimethyl-pentansaeure
• CAS: 65302-98-9
• 化学式: C₇H₁₄O₃
• mdl: MFCD17254932
• 分子量: 146.186
• InChiKey: OPBFFNZNNJKRCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-hydroxy-4,4-dimethylpentanoic acid 在 2,6-二甲基吡啶 、 caesium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 14.0h， 生成 benzyl 4,4-dimethyl-2-{[(trifluoromethyl)sulphonyl]oxy}pentanoate
  参考文献：
  名称：

  Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c00795
• 作为产物：
  描述：

  3,3-二甲基丁醛 生成 2-hydroxy-4,4-dimethylpentanoic acid
  参考文献：
  名称：

  Inhibitors of prenyl-protein transferase

  摘要：

  本发明涉及具有烷酰基，烷基磺酰基，烷基酰胺基或烷氧羰基取代基的未取代和取代哌嗪含有化合物，其具有抑制藤黄醇蛋白转移酶的公式A，并具有抑制藤黄醇蛋白转移酶的活性。具体而言，本发明涉及在体内作为香豆膦-蛋白转移酶I（GGTase-I）的抑制剂以及抑制H-Ras蛋白和K4B-Ras蛋白的细胞处理的藤黄醇蛋白转移酶抑制剂。这种治疗性化合物在癌症治疗中非常有用。

  公开号：

  US06355643B1

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• 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。
• COFERONS AND METHODS OF MAKING AND USING THEM
  申请人：Barany Francis

  公开号：US20120295874A1

  公开（公告）日：2012-11-22

  The present invention is directed to a monomer useful in preparing therapeutic compounds. The monomer includes one or more pharmacophores which potentially binds to a target molecule with a dissociation constant of less than 300 μM and a linker element connected to the pharmacophore. The linker element has a molecular weight less than 500 daltons, is connected, directly or indirectly through a connector, to the pharmacophore.

  本发明涉及一种用于制备治疗性化合物的单体。该单体包括一个或多个可与目标分子结合的药效团，其解离常数小于300微摩尔，以及与药效团连接的连接元素。所述连接元素的分子量小于500道尔顿，通过直接连接或通过连接器间接与药效团相连。
• Thrombin inhibitors
  申请人：——

  公开号：US20030013700A1

  公开（公告）日：2003-01-16

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: 1 or a pharmaceutically acceptable salt thereof, e.g. 1-(3(S)-Cyclopropyl-2(R)-hydroxybutanoyl)azetidine-2(S)-N-(2-aminomethyl-5-chlorobenzyl)carboxamide, and 1-(3-Cyclopropyl-3-methyl-2(R)-hydroxybutanoyl)azetidine-2(S)-N-(2-aminomethyl-5-chlorobenzyl)carboxamide.

  该发明的化合物可用于抑制凝血酶和相关的血栓闭塞，具有以下结构：1或其药学上可接受的盐，例如1-(3(S)-环丙基-2(R)-羟基丁酰)氮杂环丙烷-2(S)-N-(2-氨基甲基-5-氯苯甲基)羧酰胺，和1-(3-环丙基-3-甲基-2(R)-羟基丁酰)氮杂环丙烷-2(S)-N-(2-氨基甲基-5-氯苯甲基)羧酰胺。