α,α-dimethyl-pyridin-3-ylacetic acid | 169253-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: α,α-dimethyl-pyridin-3-ylacetic acid
• 英文别名: α,α-DIMETHYL-3-PYRIDYLACETIC ACID；2-Methyl-2-(3-pyridinyl)propanoic acid；2-methyl-2-pyridin-3-ylpropanoic acid
• CAS: 169253-35-4
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: KKTMNUCQFGXDNQ-UHFFFAOYSA-N

物化性质

• 沸点：
  296.5±15.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  8-Chloro-11-(1-Piperazinyl)-6,11-Dihydro-5H-Benzo[5,6]Cyclohepta[1,2-b]Pyridine 、 α,α-dimethyl-pyridin-3-ylacetic acid 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 1-[4-(8-Chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperazin-1-yl]-2-methyl-2-pyridin-3-yl-propan-1-one
  参考文献：
  名称：

  Inhibitors of Farnesyl Protein Transferase. 4-Amido, 4-Carbamoyl, and 4-Carboxamido Derivatives of 1-(8-Chloro-6,11-dihydro-5H-benzo[5,6]- cyclohepta[1,2-b]pyridin-11-yl)piperazine and 1-(3-Bromo-8-chloro-6,11- dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperazine

  摘要：

  The synthesis of a variety of novel 4-amido, 4-carbamoyl and 4-carboxamido derivatives of 1-(8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin -11-yl)piperazine to explore the SAR of of this series of FPT inhibitors is described. This resulted in the synthesis of the 4- and 3-pyridylacetyl analogues 45a and 50a, respectively, both of which were orally active but were found to be rapidly metabolized in vivo. Identification of the principal metabolites led to the synthesis of a variety of new compounds that would be less readily metabolized, the most interesting of which were the 3- and 4-pyridylacetyl N-oxides 80a and 83a. Novel replacements for the pyridylacetyl moiety were also sought, and this resulted in the discovery of the 4-N-methyl and 4-N-carboxamidopiperidinylacetyl derivatives 135a and 160a, respectively. All of these derivatives exhibited greatly improved pharmacokinetics. The synthesis of the corresponding 3-bromo analogues resulted in the discovery of the 4-pyridylacetyl N-oxides 83b (+/-) and 85b [11S(-)] and the 4-carboxamidopiperidinylacetamido derivative 160b (+/-), all of which exhibited potent FPT inhibition in vitro. All three showed excellent oral bioavailability in vivo in nude mice and cynomolgus monkeys and exhibited excellent antitumor efficacy against a series of tumor cell lines when dosed orally in nude mice.

  DOI：

  10.1021/jm970462w
• 作为产物：
  描述：

  2-甲基-2-(3-吡啶基)丙酸乙酯 、 氢氧化锂 、 水 、 盐酸 以 乙醇 为溶剂， 反应 4.08h， 以to give the title compound (Yield: 100%)的产率得到α,α-dimethyl-pyridin-3-ylacetic acid
  参考文献：
  名称：

  Tricyclic compounds

  摘要：

  公开了化学式为##STR1##的新型化合物。还公开了一种抑制Ras功能，从而抑制细胞异常生长的方法。该方法包括向生物系统中注入该化合物。特别是，该方法抑制哺乳动物（例如人类）中细胞的异常生长。

  公开号：

  US05891872A1

文献信息

• AMINO ACID COMPOUNDS AND METHODS OF USE
  申请人：Pliant Therapeutics, Inc.

  公开号：US20200109141A1

  公开（公告）日：2020-04-09

  The invention relates to compounds of formula (I): or a salt thereof, wherein R 1 , G, L 1 , L 2 , L 3 , and Y are as described herein. Compounds of formula (I) and pharmaceutical compositions thereof are inhibitors of one, or both of, αvβ 1 integrin and αvβ 6 integrin that are useful for treating fibrosis such as in nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP).

  本发明涉及如下公式(I)的化合物： 或其盐，其中R1、G、L1、L2、L3和Y如本文所述。公式(I)的化合物及其药物组合物是αvβ1整合素和/或αvβ6整合素的一种或两种的抑制剂，用于治疗纤维化，如非酒精性脂肪肝炎（NASH）、特发性肺纤维化（IPF）和非特异性间质性肺炎（NSIP）。
• Amido compounds and their use as pharmaceuticals
  申请人：Yao Wenqing

  公开号：US20060009471A1

  公开（公告）日：2006-01-12

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1, antagonists of the mineralocorticoid receptor (MR), and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1 and/or diseases associated with aldosterone excess.

  本发明涉及11-β羟基类固醇脱氢酶类型1的抑制剂，矿皮质激素受体（MR）的拮抗剂，以及其药物组合物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶类型1的表达或活性相关的各种疾病，以及与醛固酮过量相关的疾病。
• Tricyclic amide and urea compounds useful for inhibition of G-protein
  申请人：Schering Corporation

  公开号：US05696121A1

  公开（公告）日：1997-12-09

  A method of inhibiting Ras function and therefore inhibiting the abnormal growth of cells is disclosed. The method comprises the administration of a compound of Formula 1.0: ##STR1## to a biological system. In particular, the method inhibits the abnormal growth of cells in a mammal such as a human being. Novel compounds of formulas 5.0, 5.1 and 5.2, wherein R is --C(R.sup.20)(R.sup.21)(R.sup.46), and 5.3, 5.3A and 5.3B, wherein R is --N(R.sub.25)(R.sub.48), are disclosed. Also disclosed are processes for making 3-substituted compounds of Formulas 5.0, 5.1, 5.2 and 5.3. Further disclosed are novel compounds which are intermediates in the process for making 3-substituted compounds of Formulas 5.0, 5.1, 5.2 and 5.3.

  本发明揭示了一种抑制Ras功能，从而抑制细胞异常生长的方法。该方法包括向生物系统中添加1.0式化合物：##STR1##。特别地，该方法抑制哺乳动物（如人类）中细胞的异常生长。本发明还揭示了公式5.0、5.1和5.2中的新化合物，其中R为--C(R.sup.20)(R.sup.21)(R.sup.46)，以及公式5.3、5.3A和5.3B中的化合物，其中R为--N(R.sub.25)(R.sub.48)。还揭示了制备公式5.0、5.1、5.2和5.3中的3-取代化合物的方法。进一步揭示了制备公式5.0、5.1、5.2和5.3中的3-取代化合物的过程中的新型中间体化合物。
• Tricyclic amide and urea compounds useful for inhibition of g-protein
  申请人：Schering Corporation

  公开号：US05719148A1

  公开（公告）日：1998-02-17

  A method of inhibiting Ras function and therefore inhibiting the abnormal growth of cells is disclosed. The method comprises the administration of a compound of Formula 1.0: ##STR1## to a biological system. In particular, the method inhibits the abnormal growth of cells in a mammal such as a human being. Novel compounds of formulas 5.0, 5.1 and 5.2, wherein R is --C(R.sup.20)(R.sup.21)(R.sup.46), and 5.3, 5.3A and 5.3B, wherein R is --N(R.sup.25)(R.sup.48), are disclosed. Also disclosed are processes for making 3-substituted compounds of Formulas 5.0, 5.1, 5.2 and 5.3. Further disclosed are novel compounds which are intermediates in the process for making 3-substituted compounds of Formulas 5.0, 5.1, 5.2 and 5.3.

  本发明公开了一种抑制Ras功能并因此抑制细胞异常生长的方法。该方法包括向生物系统中注入化合物1.0的化合物：##STR1## 。特别是，该方法抑制哺乳动物（如人类）中细胞的异常生长。本发明还公开了公式5.0、5.1和5.2的新化合物，其中R为--C(R.sup.20)(R.sup.21)(R.sup.46)，以及公式5.3、5.3A和5.3B的新化合物，其中R为--N(R.sup.25)(R.sup.48)。还公开了制备公式5.0、5.1、5.2和5.3的3-取代化合物的方法。此外，还公开了制备公式5.0、5.1、5.2和5.3的3-取代化合物的过程中的新型中间体化合物。
• Tricyclic amide and urea compounds, useful inhibition of g-protein
  申请人：Schering Corporation

  公开号：US05807853A1

  公开（公告）日：1998-09-15

  A method of inhibiting Ras function and therefore inhibiting the abnormal growth of cells is disclosed. The method comprises the administration of a compound of Formula 1.0: ##STR1## to a biological system. In particular, the method inhibits the abnormal growth of cells in a mammal such as a human being. Novel compounds of formulas 5.0, 5.1 and 5.2, wherein R is --C(R.sup.20)(R.sup.21)(R.sup.46), and 5.3, 5.3A and 5.3B, wherein R is --N(R.sup.25)(R.sup.48), are disclosed. Also disclosed are processes for making 3-substituted compounds of Formulas 5.0, 5.1, 5.2 and 5.3. Further disclosed are novel compounds which are intermediates in the process for making 3-substituted compounds of Formulas 5.0, 5.1, 5.2 and 5.3.

  本发明揭示了一种抑制Ras功能从而抑制细胞异常生长的方法。该方法包括将1.0式化合物：##STR1## 给生物系统进行治疗。特别是，该方法抑制哺乳动物如人类的细胞异常生长。本发明还揭示了公式5.0、5.1和5.2中的新化合物，其中R为--C（R.sup.20）（R.sup.21）（R.sup.46），以及公式5.3、5.3A和5.3B中的化合物，其中R为--N（R.sup.25）（R.sup.48）。还揭示了制备公式5.0、5.1、5.2和5.3的3-取代化合物的过程。此外，还揭示了在制备公式5.0、5.1、5.2和5.3的3-取代化合物的过程中的新中间体化合物。