3,5-Difluorobenzyl Chloroformate | 1347747-34-5

• 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: 3,5-Difluorobenzyl Chloroformate
• 英文别名: (3,5-difluorophenyl)methyl carbonochloridate
• CAS: 1347747-34-5
• 化学式: C₈H₅ClF₂O₂
• 分子量: 206.576
• InChiKey: MTBNBWIYPYEICC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-Difluorobenzyl Chloroformate 、 N-[4-(piperazine-1-sulfonyl)phenyl]acrylamide 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 4-(4-acryloylaminobenzenesulfonyl)piperazine-1-carboxylic Acid 3,5-difluorobenzyl ester
  参考文献：
  名称：

  Discovery and Structure–Activity Relationship of Potent and Selective Covalent Inhibitors of Transglutaminase 2 for Huntington’s Disease

  摘要：

  Tissue transglutaminase 2 (TG2) is a multifunctional protein primarily known for its calcium-dependent enzymatic protein cross-linking activity via isopeptide bond formation between glutamine and lysine residues. TG2 overexpression and activity have been found to be associated with Huntington's disease (HD); specifically, TG2 is up-regulated in the brains of HD patients and in animal models of the disease. Interestingly, genetic deletion of TG2 in two different HD mouse models, R6/1 and R6/2, results in improved phenotypes including a reduction in neuronal death and prolonged survival. Starting with phenylacrylamide screening hit 7d, we describe the SAR of this series leading to potent and selective TG2 inhibitors. The suitability of the compounds as in vitro tools to elucidate the biology of TG2 was demonstrated through mode of inhibition studies, characterization of druglike properties, and inhibition profiles in a cell lysate assay.

  DOI：

  10.1021/jm201310y
• 作为产物：
  描述：

  光气 、 3,5-二氟苄醇 生成 3,5-Difluorobenzyl Chloroformate
  参考文献：
  名称：

  N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors

  摘要：

  本文描述了PGD2受体拮抗剂化合物。还描述了包括这些化合物的药物组合物和药物在内的药物制剂，这些药物是PGD2受体拮抗剂。本文还描述了使用这些PGD2受体拮抗剂的方法，单独或与其他化合物结合，用于治疗呼吸系统、心血管系统和其他PGD2依赖性或PGD2介导的疾病或病症。

  公开号：

  US08362044B2

文献信息

• N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors
  申请人：Panmira Pharmaceuticals, LLC

  公开号：US08067445B2

  公开（公告）日：2011-11-29

  Described herein are compounds that are antagonists of PGD2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein that are antagonists of PGD2 receptors. Also described herein are methods of using such antagonists of PGD2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD2-dependent or PGD2-mediated conditions or diseases.

  本文描述了一些PGD2受体拮抗剂化合物。还描述了包含这些PGD2受体拮抗剂化合物的药物组合物和药物。本文还描述了使用这些PGD2受体拮抗剂，单独或与其他化合物结合，治疗呼吸系统、心血管系统和其他依赖或介导于PGD2的疾病或病症的方法。
• N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS
  申请人：HUTCHINSON John Howard

  公开号：US20120058123A1

  公开（公告）日：2012-03-08

  Described herein are compounds that are antagonists of PGD 2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein that are antagonists of PGD 2 receptors. Also described herein are methods of using such antagonists of PGD 2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD 2 -dependent or PGD 2 -mediated conditions or diseases.

  本文描述了一些PGD2受体拮抗剂化合物。还描述了包括这些PGD2受体拮抗剂化合物的药物组合物和药物。此外，还描述了使用这些PGD2受体拮抗剂，单独或与其他化合物联合治疗呼吸系统、心血管系统和其他PGD2依赖性或PGD2介导的疾病或病症的方法。
• US8067445B2
  申请人：——

  公开号：US8067445B2

  公开（公告）日：2011-11-29
• US8362044B2
  申请人：——

  公开号：US8362044B2

  公开（公告）日：2013-01-29
• [FR] ANTAGONISTES AMINOALKYLBIPHÉNYLE DISUBSTITUÉS PAR N,N DES RÉCEPTEURS DE LA PROSTAGLANDINE D<subinvention>20090813WO2005100298A1MERCK & CO INC [US], et al20051027AAUS2002198251A1SUNDERMANN BERND [DE], et al20021226AAUS5239084AGUERRY PHILIPPE [CH], et al19930824AAWO2006056854A1PFIZER PROD INC [US], et al20060601AAWO2006014357A1MERCK & CO INC [US], et al20060209AASee references of EP 2257524A4WO2004058164A2TULARIK INC [US]20040715
  申请人：AMIRA PHARMACEUTICALS INC

  公开号：WO2009099902A1

  公开（公告）日：2009-08-13

  Described herein are compounds that are antagonists of PGD2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein that are antagonists of PGD2 receptors. Also described herein are methods of using such antagonists of PGD2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD2-dependent or PGD2-mediated conditions or diseases.