4-methyl-3-oxothiopentanoic acid O-benzyl ester | 478189-98-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methyl-3-oxothiopentanoic acid O-benzyl ester
• 英文别名: O-benzyl-4-methyl-3-oxothiopentanoate；O-Benzyl 4-methyl-3-oxothiopentanoate；O-benzyl 4-methyl-3-oxopentanethioate
• CAS: 478189-98-9
• 化学式: C₁₃H₁₆O₂S
• 分子量: 236.335
• InChiKey: AEVJFUABKAJRLF-UHFFFAOYSA-N

物化性质

• 沸点：
  335.4±52.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-3-oxothiopentanoic acid O-benzyl ester 、 异丙基肼盐酸盐 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成 3-benzyloxy-1,5-diisopropyl-1H-pyrazole
  参考文献：
  名称：

  EP1550668

  摘要：

  公开号：
• 作为产物：
  描述：

  3-甲基-2-丁酮 、 S-methyl O-benzyl dithiocarbonate 在 sodium amide 作用下， 以 甲苯 为溶剂， 生成 4-methyl-3-oxothiopentanoic acid O-benzyl ester
  参考文献：
  名称：

  EP1550668

  摘要：

  公开号：

文献信息

• Pyrazole derivative, medicinal composition containing the same, medicinal use thereof and intermediate in producing the same
  申请人：Fujikura Hideki

  公开号：US20060128635A1

  公开（公告）日：2006-06-15

  The present invention provides pyrazole derivatives represented by the general formula: wherein R 1 represents H, an optionally substituted C 1-6 alkyl group etc.; one of Q and T represents a group selected from the following groups: and the other represents —(CH 2 ) n —Ar wherein Ar represents an optionally substituted C 6-10 aryl group or an optionally substituted C 1-9 heteroaryl group; and n represents an integral number from 0 to 2, an optionally substituted C 1-6 alkoxyl group, an optionally substituted amino group, an optionally substituted C 2-9 heterocycloalkyl group or an optionally substituted heterocycle-fused phenyl group; R represents an optionally substituted C 3-8 cycloalkyl group, an optionally substituted C 6-10 aryl group etc., pharmaceutically acceptable salts thereof or prodrugs thereof, which exhibit an excellent inhibitory activity in human 1,5-anhydroglucitol/fructose/mannose transporter and are useful as agents for the prevention, inhibition of progression or treatment of a disease associated with the excess uptake of at least a kind of carbohydrates selected from glucose, fructose and mannose or a disease associated with hyperglycemia (e.g., diabetic complications, diabetes, etc.), and pharmaceutical compositions comprising the same, pharmaceutical uses thereof, and intermediates for production thereof.

  本发明提供了由下式表示的吡唑衍生物：其中，R1代表H、可选取代的C1-6烷基等；Q和T中的一个代表以下基团之一：另一个代表—(CH2)n—Ar，其中Ar代表可选取代的C6-10芳基基团或可选取代的C1-9杂环芳基基团；n表示0至2的整数、可选取代的C1-6烷氧基基团、可选取代的氨基基团、可选取代的C2-9杂环烷基基团或可选取代的杂环融合苯基团；R代表可选取代的C3-8环烷基基团、可选取代的C6-10芳基基团等，以及其药学上可接受的盐或前药，其在人类1,5-脱水葡萄糖/果糖/甘露糖转运体中表现出优异的抑制活性，并且可用作预防、抑制进展或治疗与葡萄糖、果糖和甘露糖中至少一种的过度摄取或高血糖相关的疾病的药物（例如糖尿病并发症、糖尿病等），以及包含它们的制药组合物、制药用途和其制备的中间体。
• Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor
  申请人：——

  公开号：US20040176308A1

  公开（公告）日：2004-09-09

  The present invention provides glucopyranosyloxypyrazole derivatives represented by the general formula: 1 wherein R 1 is a hydrogen atom or a hydroxyalkyl group; one of Q and T is a group represented by the general formula; 2 the other is an optionally substituted alkyl group or a cycloalkyl group; and R 2 is a halogen atom, a hydroxy group, an optionally substituted alkyl group, an optionally substituted alkoxy group, an alkylthio group, a group of the general formula: -A-R 3 wherein A is a single bond, an oxygen atom, a methylene group, an ethylene group, —OCH 2 — or —CH 2 O—; and R 3 is a cycloalkyl group, a heterocycloalkyl group, an optionally substituted aryl group, an optionally substituted tiazolyl group or an optionally substituted pyridyl group, pharmaceutically acceptable salts thereof or prodrugs thereof, which exert an excellent inhibitory activity in human SGLT 1 , and therefore are useful as drugs for the prevention or treatment of a disease associated with hyperglycemia such as diabetes, diabetic complications or obesity, pharmaceutical compositions comprising the same, pharmaceutical uses thereof and production intermediates thereof.

  本发明提供了由通式1表示的葡萄糖吡唑衍生物，其中R1是氢原子或羟基烷基；Q和T中的一个是由通式2表示的基团，另一个是可选取代的烷基或环烷基；R2是卤素原子、羟基、可选取代的烷基、可选取代的烷氧基、烷硫基、通式-A-R3中的基团，其中A是单键、氧原子、亚甲基、乙烯基、—OCH2—或—CH2O—，而R3是环烷基、杂环烷基、可选取代的芳基、可选取代的噻唑基或可选取代的吡啶基，其药物学上可接受的盐或前药，在人类SGLT1中具有优异的抑制活性，因此可用作预防或治疗与高血糖相关的疾病，如糖尿病、糖尿病并发症或肥胖症的药物，以及包含其的制药组合物、制药用途和生产中间体。
• PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE IN PRODUCING THE SAME
  申请人：Fujikura Hideki

  公开号：US20100029919A1

  公开（公告）日：2010-02-04

  The present invention provides pyrazole derivatives represented by the general formula: wherein R 1 represents H, an optionally substituted C 1-6 alkyl group etc.; one of Q and T represents a group selected from the following groups: , and the other represents —(CH 2 ) n —Ar wherein Ar represents an optionally substituted C 6-10 aryl group or an optionally substituted C 1-9 heteroaryl group; and n represents an integral number from 0 to 2 , an optionally substituted C 1-6 alkoxyl group, an optionally substituted amino group, an optionally substituted C 2-9 heterocycloalkyl group or an optionally substituted heterocycle-fused phenyl group; R represents an optionally substituted C 3-8 cycloalkyl group, an optionally substituted C 6-10 aryl group etc., pharmaceutically acceptable salts thereof or prodrugs thereof, which exhibit an excellent inhibitory activity in human 1,5 -anhydroglucitol/fructose/mannose transporter and are useful as agents for the prevention, inhibition of progression or treatment of a disease associated with the excess uptake of at least a kind of carbohydrates selected from glucose, fructose and mannose or a disease associated with hyperglycemia (e.g., diabetic complications, diabetes, etc.), and pharmaceutical compositions comprising the same, pharmaceutical uses thereof, and intermediates for production thereof.

  本发明提供了由下式表示的吡唑衍生物： 其中R1表示氢、可选取代的C1-6烷基等；Q和T中的一个表示以下组之一：， 另一个表示—(CH2)n—Ar，其中Ar表示可选取代的C6-10芳基或可选取代的C1-9杂环芳基；n表示0到2的整数，可选取代的C1-6烷氧基、可选取代的氨基、可选取代的C2-9杂环烷基或可选取代的杂环融合苯基；R表示可选取代的C3-8环烷基、可选取代的C6-10芳基等，其药物可接受的盐或前药，其在人类1,5-脱水葡萄糖/果糖/甘露糖转运体中具有出色的抑制活性，并且可用作预防、阻止进展或治疗与葡萄糖、果糖和甘露糖中至少一种过量摄入或与高血糖症（例如糖尿病并发症、糖尿病等）相关的疾病的药物，以及包含它们的制药组合物、制药用途和其制备的中间体。
• EP1400529
  申请人：——

  公开号：——

  公开（公告）日：——
• US7576063B2
  申请人：——

  公开号：US7576063B2

  公开（公告）日：2009-08-18