3,3,3-trifluoro-2-methyl-2-trifluoromethyl-propionyl chloride | 13027-24-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 3,3,3-trifluoro-2-methyl-2-trifluoromethyl-propionyl chloride
• 英文别名: 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoyl chloride；3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl chloride
• CAS: 13027-24-2
• 化学式: C₅H₃ClF₆O
• 分子量: 228.522
• InChiKey: SBPOECSUFWPZFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3,3,3-trifluoro-2-methyl-2-trifluoromethyl-propionyl chloride 在 N,N-二甲基甲酰胺 作用下， 反应 5.0h， 生成 1,1,3,3,3-五氟-2-甲基丙-1-烯
  参考文献：
  名称：

  Reactions of carboxylic acid chlorides with dimethylformamide

  摘要：

  DOI：

  10.1007/bf00846054
• 作为产物：
  描述：

  2,2-双(三氟甲基)丙酰胺 在 三氯化铝 作用下， 生成 3,3,3-trifluoro-2-methyl-2-trifluoromethyl-propionyl chloride
  参考文献：
  名称：

  Reactions of carboxylic acid chlorides with dimethylformamide

  摘要：

  DOI：

  10.1007/bf00846054

文献信息

• Pyridazine derivatives and their use as therapeutic agents
  申请人：Chakka Nagasree

  公开号：US20060009459A1

  公开（公告）日：2006-01-12

  Methods of treating an SCD-mediated disease or condition in a mammal, preferably a human, are disclosed, wherein the methods comprise administering to a mammal in need thereof a compound of formula (Ia): where x, y, W, V, R 2 , R 3 , R 4 , R 5 , R 6 , R 6a , R 7 , R 7a , R 8 , R 8a , R 9 and R 9a are defined herein. Pharmaceutical compositions comprising the compounds of formula (I) are also disclosed.

  本发明涉及一种治疗哺乳动物（优选为人类）SCD介导的疾病或病症的方法，其中所述方法包括向需要治疗的哺乳动物中给予式(Ia)的化合物，其中x、y、W、V、R2、R3、R4、R5、R6、R6a、R7、R7a、R8、R8a、R9和R9a如本文所定义。此外，本发明还涉及含有式(I)的化合物的制药组合物。
• PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：Bilich Andreas

  公开号：US20080280916A1

  公开（公告）日：2008-11-13

  Methods of treating an SCD-mediated skin disorder or condition in a mammal, preferably a human include administering to a mammal in need thereof a compound of formula (I): where x, y, W, V, R 2 , R 3 , R 4 , R 5 , R 6 , R 6a , R 7 , R 7a , R 8 , R 8a , R 9 and R 9a are defined herein.

  治疗哺乳动物，特别是人类SCD介导的皮肤疾病或症状的方法包括向需要治疗的哺乳动物给予以下式子(I)的化合物：其中x，y，W，V，R2，R3，R4，R5，R6，R6a，R7，R7a，R8，R8a，R9和R9a在此处定义。
• PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS
  申请人：Billich Andreas

  公开号：US20110021530A1

  公开（公告）日：2011-01-27

  Methods of treating an SCD-mediated skin disorder or condition in a mammal, preferably a human, including administering to a mammal in need thereof a compound of formula (I): where x, y, W, V, R 2 , R 3 , R 4 , R 5 , R 6 , R 6a , R 7 , R 7a , R 8 , R 8a , R 9 and R 9a are defined herein, and compositions including a compound of formula (I).

  治疗哺乳动物，尤其是人类SCD介导的皮肤疾病或症状的方法，包括向需要该治疗的哺乳动物施用式(I)的化合物，其中x，y，W，V，R2，R3，R4，R5，R6，R6a，R7，R7a，R8，R8a，R9和R9a在此定义，并包括含有式(I)化合物的组合物。
• Discovery of Piperazin-1-ylpyridazine-Based Potent and Selective Stearoyl-CoA Desaturase-1 Inhibitors for the Treatment of Obesity and Metabolic Syndrome
  作者：Zaihui Zhang、Shaoyi Sun、Vishnumurthy Kodumuru、Duanjie Hou、Shifeng Liu、Nagasree Chakka、Serguei Sviridov、Sultan Chowdhury、David G. McLaren、Leslie G. Ratkay、Kuldip Khakh、Xing Cheng、Heinz W. Gschwend、Rajender Kamboj、Jianmin Fu、Michael D. Winther

  DOI：10.1021/jm301661h

  日期：2013.1.24

  Stearoyl-CoA desaturase-1 (SCD1) catalyzes de novo synthesis of monounsaturated fatty acids from saturated fatty acids. Studies have demonstrated that rodents lacking a functional SCD1 gene have an improved metabolic profile, including reduced weight gain, lower triglycerides, and improved insulin response. In this study, we discovered a series of piperazinylpyridazine-based highly potent, selective, and orally bioavailable compounds. Particularly, compound 49 (XEN103) was highly active in vitro (mSCD1 IC50 = 14 nM and HepG2 IC50 = 12 nM) and efficacious in vivo (ED50 = 0.8 mg/kg). It also demonstrated striking reduction of weight gain in a rodent model. Our findings with small-molecule SCD1 inhibitors confirm the importance of this target in metabolic regulation, describe novel models for assessing SCD1 inhibitors for efficacy and tolerability and demonstrate an opportunity to develop a novel therapy for metabolic disease.
• Piperazine derivatives and their use as therapeutic agents
  申请人：Xenon Pharmaceuticals Inc.

  公开号：EP2316827B1

  公开（公告）日：2016-01-27