5-(N'-Ethyl-N'-methyl-hydrazino)-1-(5-methanesulfonyl-pyridin-2-yl)-3-trifluoromethyl-1H-pyrazole-4-carbonitrile | 519008-06-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-(N'-Ethyl-N'-methyl-hydrazino)-1-(5-methanesulfonyl-pyridin-2-yl)-3-trifluoromethyl-1H-pyrazole-4-carbonitrile
• 英文别名: 5-(2-Ethyl-2-methylhydrazinyl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
• CAS: 519008-06-1
• 化学式: C₁₄H₁₅F₃N₆O₂S
• 分子量: 388.373
• InChiKey: VLRCREWXTJXUKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• Efficient synthesis of 5-heteroatom-containing -pyrazoles
  申请人：——

  公开号：US20030139407A1

  公开（公告）日：2003-07-24

  An efficient synthesis of sulfonyl pyrazoles of formula I: 1 wherein the ring of the formula (R 5 )—A—(SO m R 4 ), m, R 1 through R 9 are as defined in the specification, comprising reacting a compound of formula II: 2 wherein the ring of the formula (R 5 )—A—(SO m 4 ), m R 1 through R 9 are as defined above and wherein R 10 is halo, (C 1 -C 6 )alkyl-SO 3 —, (C 6 -C 10 )aryl-SO 3 —, (C 1 -C 6 )alkyl-SO 2 —, or (C 6 -C 10 )aryl-SO 2 —; wherein each of said (C 1 -C 6 )alkyl component of said (C 1 -C 6 )alkyl-SO 3 — and (C 1 -C 6 )alkyl-SO 2 — radicals may optionally be substituted on any carbon atom by one to six fluoro substituents per (C 1 -C 6 )alkyl component; with a compound of formula R 3 —H, wherein R 3 is as defined above, in the presence of a fluoride containing salt and in the presence of a solvent.

  一种有效的合成公式I：1的磺酰吡唑，其中公式的环（R5）-A-（SOmR4），m，R1到R9如规范中所定义，包括在氟化物盐和溶剂的存在下，将公式II的化合物反应：2其中公式的环（R5）-A-（SOm4），m，R1到R9如上所定义，其中R10是卤素，（C1-C6）烷基-SO3-，（C6-C10）芳基-SO3-，（C1-C6）烷基-SO2-或（C6-C10）芳基-SO2-；其中每个（C1-C6）烷基-SO3-和（C1-C6）烷基-SO2-基团的（C1-C6）烷基组分可以选择地被每个碳原子取代一个到六个氟代基。其中R3为上述定义的化合物R3-H进行反应。
• Hydrazinyl and nitrogen oxide pyrazoles
  申请人：Pfizer Inc.

  公开号：US20030134850A1

  公开（公告）日：2003-07-17

  The present invention relates to hydrazinyl and nitrogen oxide pyrazoles of the formula I: 1 wherein the ring of the formula (R 5 )-A-(SO m R 4 ), m, X, R 1 through R 5 are as defined in the specification, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the invention are useful in the treatment or alleviation of inflammation and other inflammation associated disorders, such as arthritis, colon cancer and Alzheimer's disease in mammals, preferably humans, dogs, cats and livestock animals.

  本发明涉及式I的肼基和氮氧化物吡唑：1其中，式（R5）-A-（SOmR4），m，X，R1至R5的环如规范中所定义，以及包含它们的制药组合物和它们的医药用途。本发明的化合物在哺乳动物中，尤其是人类、狗、猫和家畜动物中，用于治疗或缓解炎症和其他与炎症相关的疾病，如关节炎、结肠癌和阿尔茨海默病。
• Efficient synthesis of 5-heteroatom-containing-pyrazoles
  申请人：——

  公开号：US20040210052A1

  公开（公告）日：2004-10-21

  An efficient synthesis of sulfonyl pyrazoles of formula I: 1 wherein the ring of the formula (R 5 )—A—(SO m R 4 ), m, R 1 through R 9 are as defined in the specification, comprising reacting a compound of formula II: 2 wherein the ring of the formula (R 5 )—A—(SO m R 4 ), m R 1 through R 9 are as defined above and wherein R 10 is halo, (C 1 -C 6 )alkyl-SO 3 —, (C 6 -C 10 )aryl-SO 3 —, (C 1 -C 6 )alkyl-SO 2 —, or (C 6 -C 10 )aryl-SO 2 —; wherein each of said (C 1 -C 6 )alkyl component of said (C 1 -C 6 )alkyl-SO 3 — and (C 1 -C 6 )alkyl-SO 2 — radicals may optionally be substituted on any carbon atom by one to six fluoro substituents per (C 1 -C 6 )alkyl component; with a compound of formula R 3 —H, wherein R 3 is as defined above, in the presence of a fluoride containing salt and in the presence of a solvent.

  一种有效合成式I：1的磺酰基吡唑的方法，其中式中的环(R5)-A-(SOmR4)，m，R1至R9如规范中定义，包括在存在氟化盐和溶剂的条件下，将式II的化合物与R3-H的化合物反应，其中式中的环(R5)-A-(SOmR4)，m，R1至R9如上所述，而R10为卤素，(C1-C6)烷基-SO3-，(C6-C10)芳基-SO3-，(C1-C6)烷基-SO2-或(C6-C10)芳基-SO2-；其中所述(C1-C6)烷基-SO3-和(C1-C6)烷基-SO2-基团的每个碳原子上均可选择地被一个到六个氟取代基取代。
• Sulfonylaryl- and sulfonylheteroaryl-pyrazoles with a hydrazinyl or nitrogen oxide substituent at the 5-position for use as cyclooxygenase inhibitors
  申请人：Pfizer Productors Inc.

  公开号：EP1308158A1

  公开（公告）日：2003-05-07

  The present invention relates to hydrazinyl and nitrogen oxide pyrazoles of the formula I: wherein the ring of the formula (R5)-A-(SOmR4), m, X, R1 through R5 are as defined in the specification, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the invention are useful in the treatment or alleviation of inflammation and other inflammation associated disorders, such as arthritis, colon cancer and Alzheimer's disease in mammals, preferably humans, dogs, cats and livestock animals.

  本发明涉及式 I 的肼基和氧化氮吡唑： 其中式(R5)-A-(SOmR4)的环、m、X、R1至R5如说明书中所定义，本发明涉及含有它们的药物组合物及其药用用途。本发明的化合物可用于治疗或缓解哺乳动物（最好是人、狗、猫和家畜）的炎症和其他炎症相关疾病，如关节炎、结肠癌和阿尔茨海默病。
• Method for hydrolysing carotenoids esters
  申请人：Flachmann Ralf

  公开号：US20050255541A1

  公开（公告）日：2005-11-17

  The invention relates to a method for hydrolysing enzymatic carotenoids esters and the use of said carotenoids and the products thereof as human and animal food.

  本发明涉及一种水解酶促类胡萝卜素酯的方法，以及将所述类胡萝卜素及其产品用作人类和动物食品的方法。