5-(氯甲基)苯并[b]呋喃 | 37798-07-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 5-(氯甲基)苯并[b]呋喃
• 英文名称: 5-(chloromethyl)benzo[b]furan
• 英文别名: 5-Chlormethyl-benzofuran；5-chloromethylbenzofuran；5-(chloromethyl)-1-benzofuran；5-(Chloromethyl)benzofuran
• CAS: 37798-07-5
• 化学式: C₉H₇ClO
• mdl: MFCD18411180
• 分子量: 166.607
• InChiKey: MFGWLHDQWCKHKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-(氯甲基)苯并[b]呋喃 生成 (2R)-2-amino-3-(1-benzofuran-5-yl)propanoic acid
  参考文献：
  名称：

  [EN] AMINO ACID INHIBITORS OF CYTOCHROME P450
  [FR] INHIBITEURS AMINOACIDES DU CYTOCHROME P450

  摘要：

  公开号：

  WO2009105774A3
• 作为产物：
  描述：

  1-苯并呋喃-5-甲醇 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 5-(氯甲基)苯并[b]呋喃
  参考文献：
  名称：

  [EN] DIAMIDE INHIBITORS OF CYTOCHROME P450
  [FR] DIAMIDES INHIBITEURS DU CYTOCHROME P450

  摘要：

  提供了抑制细胞色素P450酶的方法，可用于改善疾病的治疗，防止细胞色素P450酶降解药物或其他分子。提供了可作为增强剂的药物组合物，可改善药物的药代动力学，增强生物利用度，并增强通过细胞色素P450酶在体内降解的药物的治疗效果。

  公开号：

  WO2009105776A1

文献信息

• GSK-3BETAINHIBITOR
  申请人：Itoh Fumio

  公开号：US20100069381A1

  公开（公告）日：2010-03-18

  For the purpose of providing a GSK-3β inhibitor containing an oxadiazole compound or a salt thereof or a prodrug thereof useful as an agent for the prophylaxis or treatment of a GSK-3β-related pathology or disease, the present invention provides a GSK-3β inhibitor containing a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof or a prodrug thereof.

  为了提供一种含有噁二唑化合物或其盐或其前药的GSK-3β抑制剂，用作GSK-3β相关病理或疾病的预防或治疗剂，本发明提供了一种含有由以下式（I）表示的化合物的GSK-3β抑制剂： 其中每个符号如规范中定义，或其盐或其前药。
• DIAMIDE INHIBITORS OF CYTOCHROME P450
  申请人：Eissenstat Michael

  公开号：US20110098236A1

  公开（公告）日：2011-04-28

  Methods of inhibiting cytochrome P450 enzymes are provided that can be used for improving the treatment of diseases by preventing degradation of drugs or other molecules by cytochrome P450. Pharmaceutical compositions are provided that can act as boosters to improve the pharmacokinetics, enhance the bioavailability, and enhance the therapeutic effect of drugs that undergo in vivo degradation by cytochrome P450 enzymes.

  提供了抑制细胞色素P450酶的方法，可用于通过防止细胞色素P450降解药物或其他分子来改善疾病治疗。提供了制药组合物，可作为增强剂，以改善药物的药代动力学，增强生物利用度，并增强通过细胞色素P450酶在体内降解的药物的治疗效果。
• AMINO ACID INHIBITORS OF CYTOCHROME P450
  申请人：Eissenstat Michael

  公开号：US20110124578A1

  公开（公告）日：2011-05-26

  Methods of inhibiting cytochrome P450 enzymes are provided that can be used for improving the treatment of diseases by preventing degradation of drugs or other molecules by cytochrome P450. Pharmaceutical compositions are provided that eases can act as boosters to improve the pharmacokinetics, enhance the bioavailability, and enhance the therapeutic effect of drugs that undergo in vivo degradation by cytochrome P450 enzymes.

  提供了抑制细胞色素P450酶的方法，可用于通过防止细胞色素P450对药物或其他分子的降解来改善疾病的治疗。提供了药物组合物，可作为增强剂，改善药物的药代动力学，增强生物利用度，并增强在体内通过细胞色素P450酶降解的药物的治疗效果。
• Diamide Inhibitors of Cytochrome P450
  申请人：SEQUOIA PHARMACEUTICALS, INC

  公开号：US20150087676A1

  公开（公告）日：2015-03-26

  Methods of inhibiting cytochrome P450 enzymes are provided that can be used for improving the treatment of diseases by preventing degradation of drugs or other molecules by cytochrome P450. Pharmaceutical compositions are provided that can act as boosters to improve the pharmacokinetics, enhance the bioavailability, and enhance the therapeutic effect of drugs that undergo in vivo degradation by cytochrome P450 enzymes.

  提供了抑制细胞色素P450酶的方法，可用于通过防止细胞色素P450对药物或其他分子的降解来改善疾病的治疗。提供了药物组合物，可作为增强剂，改善药物的药代动力学，增强生物利用度，并增强通过体内降解细胞色素P450酶的药物的治疗效果。
• Identification of MK-944a:  A Second Clinical Candidate from the Hydroxylaminepentanamide Isostere Series of HIV Protease Inhibitors
  作者：Bruce D. Dorsey、Colleen McDonough、Stacey L. McDaniel、Rhonda B. Levin、Christina L. Newton、Jacob M. Hoffman、Paul L. Darke、Joan A. Zugay-Murphy、Emilio A. Emini、William A. Schleif、David B. Olsen、Mark W. Stahlhut、Carrie A. Rutkowski、Lawrence C. Kuo、Jiunn H. Lin、I-W. Chen、Stuart R. Michelson、M. Katharine Holloway、Joel R. Huff、Joseph P. Vacca

  DOI：10.1021/jm9903848

  日期：2000.9.1

  Recent results from human clinical trials have established the critical role of HIV protease inhibitors in the treatment of acquired immune-deficiency syndrome (AIDS). However, the emergence of viral resistance, demanding treatment protocols, and adverse side effects have exposed the urgent need for a second generation of HIV protease inhibitors. The continued exploration of our hydroxylaminepentanamide (HAPA) transition-state isostere series of HIV protease inhibitors, which initially resulted in the identification of Crixivan (indinavir sulfate, MK-639, L-735,524), has now yielded MK-944a (L-756,423). This compound is potent, is selective, and competitively inhibits HIV-1 PR with a Ki value of 0.049 nM. It stops the spread of the HIVIIIb-infected MT4 lymphoid cells at 25.0-50.0 nM, even in the presence of alpha(1) acid glycoprotein, human serum albumin, normal human serum, or fetal bovine serum. MK-944a has a longer half-life in several animal models (rats, dogs, and monkeys) than indinavir sulfate and is currently in advanced human clinical trials.