4-(3-benzyloxypropoxy)-benzaldehyde | 666843-75-0

• 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-(3-benzyloxypropoxy)-benzaldehyde
• 英文别名: 4-(3-benzyloxypropoxy)benzaldehyde；4-(3-phenylmethoxypropoxy)benzaldehyde
• CAS: 666843-75-0
• 化学式: C₁₇H₁₈O₃
• 分子量: 270.328
• InChiKey: HPTISECXMUCRSR-UHFFFAOYSA-N

物化性质

• 沸点：
  418.5±25.0 °C(Predicted)
• 密度：
  1.118±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-benzyloxypropoxy)-benzaldehyde 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 [4-(3-benzyloxypropoxy)phenyl]methanol
  参考文献：
  名称：

  PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF

  摘要：

  公开号：

  EP1548024B1
• 作为产物：
  描述：

  3-苄氧基溴丙烷 、 对羟基苯甲醛 在 sodium iodide caesium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 96.0h， 生成 4-(3-benzyloxypropoxy)-benzaldehyde
  参考文献：
  名称：

  PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF

  摘要：

  公开号：

  EP1548024B1

文献信息

• Immobilization of Malarial (<i>Plasmodium falciparum</i>) Dihydrofolate Reductase for the Selection of Tight-Binding Inhibitors from Combinatorial Library
  作者：Chawanee Thongpanchang、Supannee Taweechai、Sumalee Kamchonwongpaisan、Yongyuth Yuthavong、Yodhathai Thebtaranonth

  DOI：10.1021/ac070215s

  日期：2007.7.1

  A simple procedure for selection of tight-binding inhibitors of mutant dihydrofolate reductases from Plasmodium falciparum (PfDHFRs) based on preferential binding to the enzyme immobilized on a Sepharose column has been described. PfDHFRs with a cysteine residue at the C-terminal have been prepared in order to immobilize to a thiopropyl-Sepharose gel via S−S linkage. The amount of immobilized DHFRs was estimated to be 4−5 mg/g of dried gel, and the activities of bound DHFRs were comparable to that of free enzymes. The prepared immobilized enzyme has been used for the selection of tight-binding inhibitors from combinatorial libraries, based on the affinities of each ligand with the enzyme. Free ligands were then identified and analyzed quantitatively by high-performance liquid chromatography−mass spectrometry, and the components with high binding affinity of the library could thus be realized. Results could be confirmed by quantitative analysis of the bound ligands released from the enzyme by guanidine hydrochloride treatment.

  已经描述了一种基于优先结合固定在Sepharose柱上的酶的选择突变型恶性疟原虫二氢叶酸还原酶（PfDHFRs）的紧密结合抑制剂的简单程序。为了通过S-S键固定到硫丙基-Sepharose凝胶上，制备了在C末端具有半胱氨酸残基的PfDHFRs。估计固定化的DHFRs量为4-5毫克/克干燥凝胶，并且与自由酶的活性相当。制备的固定化酶已被用于从组合库中选择紧密结合抑制剂，基于每个配体与酶的亲和力。然后通过高效液相色谱-质谱法识别和定量分析自由配体，从而实现库中具有高结合亲和力的成分。结果可以通过定量分析通过盐酸胍处理从酶中释放的结合配体来确认。
• Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof
  申请人：Fushimi Nobuhiko

  公开号：US20050272669A1

  公开（公告）日：2005-12-08

  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 represented by the general formula: or a group represented by the general formula: while the other represents an optionally substituted C 1-6 alkyl group etc.; R 2 represents H, a halogen atom, OH, an optionally substituted C 1-6 alkyl group etc.; X represents a single bond, O or S; Y represents an optionally substituted C 1-6 alkylene group etc.; Z represents —R B , —COR C etc. in which R B represents an optionally substituted C 1-6 alkyl group etc.; and R C represents an optionally substituted C 1-6 alkyl group etc.; R 4 represents H, an optionally substituted C 1-6 alkyl group etc.; and R 3 , R 5 and R 6 represent H, a halogen atom etc., pharmaceutically acceptable salts thereof or prodrugs thereof, which exhibit an excellent inhibitory activity in human SGLT1 and are useful as agents for the prevention or treatment of a disease associated with hyperglycemia such as diabetes, impaired glucose tolerance, impaired fasting glycemia, diabetic complications or obesity, and a disease associated with the increase of blood galactose level such as galactosemia, and pharmaceutical compositions comprising the same, pharmaceutical uses thereof, and intermediates for production thereof.

  本发明提供了由通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中的一个代表由通式表示的基团：或由通式表示的基团：另一个代表可选取代的C1-6烷基等；R2代表H、卤素原子、OH、可选取代的C1-6烷基等；X代表单键、O或S；Y代表可选取代的C1-6亚烷基等；Z代表-RB、-CORC等，其中RB代表可选取代的C1-6烷基等；RC代表可选取代的C1-6烷基等；R4代表H、可选取代的C1-6烷基等；R3、R5和R6代表H、卤素原子等，其药学上可接受的盐或前药，具有在人类SGLT1中出色的抑制活性，可用作预防或治疗与高血糖相关的疾病，如糖尿病、糖耐量受损、空腹血糖受损、糖尿病并发症或肥胖症，以及与血中半乳糖水平增加相关的疾病，如半乳糖血症的治疗剂，以及包含它们的制药组合物、制药用途和制备它们的中间体。
• NITROGENOUS FUSED-RING DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE DERIVATIVES, AND USE THEREOF AS DRUGS
  申请人：FUSHIMI Nobuhiko

  公开号：US20080188426A1

  公开（公告）日：2008-08-07

  The present invention provides nitrogen-containing fused-ring derivatives represented by the following general formula, or pharmaceutically acceptable salts thereof, or prodrugs thereof, which exhibit an excellent inhibitory activity in human SGLT and are useful as agents for the prevention or treatment of a disease associated with hyperglycemia such as diabetes, postprandial hyperglycemia, impaired glucose tolerance, diabetic complications or obesity, in the formula R 1 represent H, an optionally substituted alkyl group, an alkenyl group, etc.; R 2 represent H, a halogen atom or an alkyl group; R 3 and R 4 represent H, OH, a halogen atom, an optionally substituted alkyl group, etc.; Y represents CH or N; Q represents alkylene, alkenylene, etc.; ring A represents an aryl group or a heteroaryl group; G represents a group represented by the following general formula (G-1) or (G-2) (in which E 1 represents H, F or OH; and E 2 represents H, F, a methyl group, etc.), and pharmaceutical compositions comprising the same, and pharmaceutical uses thereof.

  本发明提供以下通式所表示的含氮融合环衍生物，或其药学上可接受的盐或前药，它们在人类SGLT中表现出优异的抑制活性，并可用作预防或治疗与高血糖相关的疾病，如糖尿病、餐后高血糖、糖耐量受损、糖尿病并发症或肥胖症的药物。其中，通式中R1代表H，可选取代的烷基，烯基等；R2代表H，卤素原子或烷基；R3和R4代表H，OH，卤素原子，可选取代的烷基等；Y代表CH或N；Q代表烷基，烯基等；环A代表芳基或杂芳基；G代表下列通式（G-1）或（G-2）所表示的基团（其中E1代表H，F或OH；E2代表H，F，甲基基团等），以及包含它们的制药组合物和制药用途。
• Nitrogenous fused-ring derivatives, medicinal compositions containing the derivatives, and use thereof as drugs
  申请人：Fushimi Nobuhiko

  公开号：US20070191289A1

  公开（公告）日：2007-08-16

  The present invention provides nitrogen-containing fused-ring derivatives represented by the following general formula, or pharmaceutically acceptable salts thereof, or prodrugs thereof, which exhibit an excellent inhibitory activity in human SGLT and are useful as agents for the prevention or treatment of a disease associated with hyperglycemia such as diabetes, postprandial hyperglycemia, impaired glucose tolerance, diabetic complications or obesity, in the formula R 1 represent H, an optionally substituted alkyl group, analkenyl group, etc.; R 2 represent H, a halogen atom or an alkyl group; R 3 and R 4 represent H, OH, a halogen atom, an optionally substituted alkyl group, etc.; Y represents CH or N; Q represents alkylene, alkenylene, etc.; ring A represents an aryl group or a heteroaryl group; G represents a group represented by the following general formula (G-1) or (G-2) (in which E 1 represents H, F or OH; and E 2 represents H, F, a methyl group, etc.), and pharmaceutical compositions comprising the same, and pharmaceutical uses thereof.

  本发明提供以下通式所表示的含氮融合环衍生物，或其药学上可接受的盐或前药，该衍生物在人体SGLT中表现出优异的抑制活性，并可用作预防或治疗与高血糖相关的疾病，如糖尿病、餐后高血糖、糖耐量受损、糖尿病并发症或肥胖症的药物。其中，通式中R1代表H、可选的取代烷基、烯基等；R2代表H、卤素原子或烷基；R3和R4代表H、OH、卤素原子、可选的取代烷基等；Y代表CH或N；Q代表烷基、烯基等；环A代表芳基或杂芳基；G代表以下通式（G-1）或（G-2）所表示的基团（其中E1代表H、F或OH；E2代表H、F、甲基基团等），以及包含上述衍生物的制药组合物和制药用途。
• Novel Antagonists of the Glucagon Receptor
  申请人：Gomez-Galeno Jorge E.

  公开号：US20120214769A1

  公开（公告）日：2012-08-23

  The present invention provides for novel compounds of Formula (I) and pharmaceutically acceptable salts and co-crystals thereof which have glucagon receptor antagonist or inverse agonist activity. The present invention further provides for pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucagon receptor antagonist is indicated, including Type I and II diabetes, insulin resistance and hyperglycemia. The present invention also provides for processes of making the compounds of Formula I, including salts and co-crystals thereof, and pharmaceutical compositions comprising the same.

  本发明提供了式（I）的新化合物及其药学上可接受的盐和共晶体，具有胰高血糖素受体拮抗剂或反向激动剂活性。本发明还提供了包含该化合物的制药组合物，以及治疗、预防、延迟发病时间或降低一种或多种需要胰高血糖素受体拮抗剂的疾病或症状的发展或进展的方法，包括1型和2型糖尿病、胰岛素抵抗和高血糖。本发明还提供了制备式I的化合物，包括其盐和共晶体的方法，以及包含该化合物的制药组合物。