methyl 5-isopropoxynicotinate | 874285-24-2

• 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: methyl 5-isopropoxynicotinate
• 英文别名: methyl 5-propan-2-yloxypyridine-3-carboxylate
• CAS: 874285-24-2
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: PLNSSYCENAFPFG-UHFFFAOYSA-N

物化性质

• 沸点：
  277.2±20.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 5-isopropoxynicotinate 在 hydrazine hydrate 、 2-dicyclohexylphosphino-2,4,6-triisopropylbiphenyl 、 palladium diacetate 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 水 、 正丁醇 为溶剂， 反应 4.0h， 生成 4-methyl-8-(morpholin-4-ylmethyl)-1-[5-(propan-2-yloxy)pyridin-3-yl][1,2,4]triazolo[4,3-a]quinoxaline
  参考文献：
  名称：

  Structure-Based Design of a Potent, Selective, and Brain Penetrating PDE2 Inhibitor with Demonstrated Target Engagement

  摘要：

  Structure-guided design led to the identification of the novel, potent, and selective phosphodiesterase 2 (PDE2) inhibitor 12. Compound 12 demonstrated a >210-fold selectivity versus PDE10 and PDE11 and was inactive against all other PDE family members up to 10 mu M. In vivo evaluation of 12 provided evidence that it is able to engage the target and to increase cGMP levels in relevant brain regions. Hence, 12 is a valuable tool compound for the better understanding of the role of PDE2 in cognitive impairment and other central nervous system related disorders.

  DOI：

  10.1021/ml500262u
• 作为产物：
  描述：

  5-羟基烟酸甲酯 在 N,N'-二环己基碳二亚胺 、 copper(l) chloride 作用下， 以 苯 为溶剂， 反应 37.5h， 以47%的产率得到methyl 5-isopropoxynicotinate
  参考文献：
  名称：

  WO2006/110668

  摘要：

  公开号：

文献信息

• [EN] TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS<br/>[FR] INHIBITEURS DE PRMT5 DÉRIVÉS DE TÉTRAHYDROISOQUINOLÉINE
  申请人：CTXT PTY LTD

  公开号：WO2016034673A1

  公开（公告）日：2016-03-10

  A compound of formula I wherein: n is 1 or 2: p is 0 or 1; R1 is optionally one or more halo or methyl groups; R2a and R2b are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R2c and R2d are independently selected from the group consisting of: (i) F; (ii) H; (iii) Me; and (iv) CH2OH; R3a and R3b are independently selected from H and Me; R4 is either H or Me; R5 is either H or Me; R6a and R6b are independently selected from H and Me; A is either (i) optionally substituted phenyl; (ii) optionally substituted naphthyl; or (iii) optionally substituted C5-12 heteroaryl.

  式I的化合物，其中：n为1或2；p为0或1；R1可选地为一个或多个卤素或甲基基团；R2a和R2b分别选自以下组：(i) F；(ii) H；(iii) Me；和(iv) CH2OH；R2c和R2d分别选自以下组：(i) F；(ii) H；(iii) Me；和(iv) CH2OH；R3a和R3b分别选自H和Me；R4为H或Me；R5为H或Me；R6a和R6b分别选自H和Me；A为(i)可选地取代的苯基；(ii)可选地取代的萘基；或(iii)可选地取代的C5-12杂环基。
• [EN] ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE<br/>[FR] ISOXAZOLINES EN TANT QU'INHIBITEURS DE L'HYDROLASE DES AMIDES D'ACIDES GRAS
  申请人：INFINITY PHARMACEUTICALS INC

  公开号：WO2010135360A1

  公开（公告）日：2010-11-25

  The present invention provides isoxazoline FAAH inhibitors of the formula (I): or pharmaceutically acceptable forms thereof, wherein each of G, Ra, Rb, Rc, and Rd are as defined herein. The present invention also provides pharmaceutical compositions comprising a compound of formula (I), or a pharmaceutically acceptable form thereof, and a pharmaceutically acceptable excipient. The present invention also provides methods for treating an FAAH-mediated condition comprising administering a therapeutically effective amount of a compound of formula (I), or pharmaceutically acceptable form thereof, to a subject in need thereof.

  本发明提供了式(I)的异噁唑啉FAAH抑制剂或其药用可接受形式，其中G、Ra、Rb、Rc和Rd中的每一个如本文所定义。本发明还提供了包括式(I)化合物或其药用可接受形式以及药用可接受赋形剂的药物组合物。本发明还提供了治疗FAAH介导疾病的方法，包括向需要的受试者施用式(I)化合物或其药用可接受形式的治疗有效量。
• COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF
  申请人：Ghosh Arun K.

  公开号：US20080176939A1

  公开（公告）日：2008-07-24

  The present invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating Alzheimer's disease.

  本发明提供了一种新颖的β-分泌酶抑制剂及其使用方法，包括治疗阿尔茨海默病的方法。
• Compounds Which Inhibit Beta-Secretase Activity and Methods of Use
  申请人：Ghosh K. Arun

  公开号：US20070117793A1

  公开（公告）日：2007-05-24

  The present invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating Alzheimer's disease.

  本发明提供了新型β-分泌酶抑制剂及其使用方法，包括治疗阿尔茨海默病的方法。
• Compounds which inhibit beta-secretase activity and methods of use
  申请人：CoMentis, Inc.

  公开号：US07504420B2

  公开（公告）日：2009-03-17

  The present invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating Alzheimer's disease.

  本发明提供了新型β-分泌酶抑制剂及其使用方法，包括用于治疗阿尔茨海默病的方法。