4-amino-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl) amide | 902152-86-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-amino-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl) amide
• 英文别名: 4-amino-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide；4-amino-1H-pyrazole-3-carboxylic acid (1-methanesulphonylpiperidin-4-yl)-amide；4-amino-1H-pyrazole-3-carboxylic acid (1-methanesulphonylpiperidin-4-yl)amide；4-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
• CAS: 902152-86-7
• 化学式: C₁₀H₁₇N₅O₃S
• 分子量: 287.343
• InChiKey: BISZMCPLQBOBTE-UHFFFAOYSA-N

物化性质

• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  130
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-amino-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl) amide 、 2-氟-6-(三氟甲基)苯甲酰氯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 4-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  WO2006/77414

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl 4-(4-nitro-1H-pyrazole-3-carboxamido)piperidine-1-carboxylate 在 palladium 10% on activated carbon 盐酸 、 氢气 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 20.0~45.0 ℃ 、310.27 kPa 条件下， 反应 21.0h， 生成 4-amino-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl) amide
  参考文献：
  名称：

  WO2007/129066

  摘要：

  公开号：

文献信息

• COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S
  申请人：Lyons John Francis

  公开号：US20100021420A1

  公开（公告）日：2010-01-28

  A combination comprising (a) a compound of formula (0): or salts or tautomers or N-oxides or solvates thereof; wherein X is R 1 -A-NR 4 — or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, SO 2 , C═O, NR 9 (C═O) or 0(C═O) wherein R 9 is hydrogen or C 1-4 hydrocarbyl optionally substituted by hydroxy or C 1-4 alkoxy; Y is a bond or an alkylene chain of 1 to 3 carbon atoms; R 1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or an optionally substituted C 1-8 hydrocarbyl group wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from O, S, NH, SO, SO 2 ; R 2 is hydrogen; halogen; C 1-4 alkoxy; or a C 1-4 hydrocarbyl group optionally substituted by halogen, hydroxyl or C 1-4 alkoxy; R 3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R 4 is hydrogen or a C 1-4 hydrocarbyl group optionally substituted by halogen, hydroxyl or C 1-4 alkoxy; and (b) a compound of formula (I′″) or salts, tautomers, solvates and N-oxides thereof: wherein R 1 is 2,6-dichlorophenyl; R 2a and R 2b are both hydrogen; and R 3 is a group: formula (A) where R 4 is C 1-4 alkyl.

  一个组合物，包括（a）式（0）的化合物：或其盐或互变异构体或N-氧化物或溶剂合物；其中X为R1-A-NR4-或5-或6-成员的碳环或杂环环；A为键，SO2，C═O，NR9（C═O）或0（C═O），其中R9为氢或C1-4烃基，可选择地被羟基或C1-4烷氧基取代；Y为键或1至3个碳原子的烷基链；R1为氢；具有3至12个环成员的碳环或杂环基；或可选择地被卤代、羟基或C1-4烷氧基取代的C1-8烃基，其中烃基的1或2个碳原子可选择地被从O、S、NH、SO、SO2中选择的原子或基团取代；R2为氢；卤素；C1-4烷氧基；或可选择地被卤代、羟基或C1-4烷氧基取代的C1-4烃基；R3选自氢和具有3至12个环成员的碳环或杂环基；和R4为氢或可选择地被卤代、羟基或C1-4烷氧基取代的C1-4烃基；和（b）式（I′″）的化合物或其盐、互变异构体、溶剂合物和N-氧化物：其中R1为2,6-二氯苯基；R2a和R2b均为氢；和R3为一个基团：式（A），其中R4为C1-4烷基。
• MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS
  申请人：Pike Andrew

  公开号：US20090318430A1

  公开（公告）日：2009-12-24

  The invention provides the use of a compound for the manufacture of a medicament for the treatment of pain, wherein the compound is a compound of the formula (0): or a salt or tautomers or N-oxides or solvate thereof; wherein X is a group R 1 -A-NR 4 — or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, SO 2 , C═O, NR g (C═O) or O(C═O) wherein R g is hydrogen or C 1-4 hydrocarbyl optionally substituted by hydroxy or C 1-4 alkoxy; Y is a bond or an alkylene chain of 1, 2 or 3 carbon atoms in length; R 1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or a C 1-8 hydrocarbyl group optionally substituted by one or more substituents selected from halogen, hydroxy, C 1-4 hydrocarbyloxy, amino, mono- or di-C 1-4 hydrocarbylamino, and carbocyclic or heterocyclic groups having from 3 to 12 ring members, and wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from O, S, NH, SO, SO 2 ; R 2 is hydrogen; halogen; C 1-4 alkoxy; or a C 1-4 hydrocarbyl group optionally substituted by halogen, hydroxyl or C 1-4 alkoxy (e.g. methoxy); R 3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R 4 is hydrogen or a C 1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C 1-4 alkoxy. The invention also provides the use of the compounds of the formula (0) for the treatment of stroke and for the treatment of polycystic kidney disease.

  本发明提供了一种化合物的应用，用于制造治疗疼痛的药物，其中该化合物为公式（0）的化合物，或其盐、互变异构体、N-氧化物或其溶剂化物。其中，X为基团R1-A-NR4-或5-或6-成员的碳环或杂环；A为键合、SO2、C═O、NRg（C═O）或O（C═O），其中Rg为氢或C1-4烃基，可选地被羟基或C1-4烷氧基取代；Y为键合或1、2或3个碳原子长度的烷基链；R1为氢；具有从3到12个环成员的碳环或杂环基团；或可选地被卤素、羟基、C1-4烷氧基、氨基、单-或双-C1-4烷基氨基、以及具有从3到12个环成员的碳环或杂环基团中的一种或多种取代基取代的C1-8烃基；其中烃基的1或2个碳原子可以选择地被O、S、NH、SO、SO2中的一个原子或基团取代；R2为氢；卤素；C1-4烷氧基；或可选地被卤素、羟基或C1-4烷氧基（例如甲氧基）取代的C1-4烃基；R3选自氢和具有从3到12个环成员的碳环或杂环基团；R4为氢或可选地被卤素（例如氟）、羟基或C1-4烷氧基取代的C1-4烃基。本发明还提供了公式（0）化合物的应用，用于治疗中风和多囊肾病。
• 4-(2, 6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide for the Treatment of Cancer
  申请人：Trewartha Gary

  公开号：US20090318500A1

  公开（公告）日：2009-12-24

  The invention provides the compound of formula (I) 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide in a substantially crystalline form, therapeutic uses thereof and pharmaceutical compositions containing the crystalline compound. The invention also provides novel pharmaceutical formulations containing 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide and novel processes for preparing the compound.

  本发明提供了公式（I）4-（2,6-二氯苯甲酰氨基）-1H-吡唑-3-羧酸（1-甲磺酰基哌啶-4-基）-酰胺的晶体形式，其治疗用途和含有该晶体化合物的制药组合物。本发明还提供了包含4-（2,6-二氯苯甲酰氨基）-1H-吡唑-3-羧酸（1-甲磺酰基哌啶-4-基）-酰胺的新型制药配方和制备该化合物的新型工艺。
• Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S
  申请人：Wyatt Paul Graham

  公开号：US20080306069A1

  公开（公告）日：2008-12-11

  The invention provides compounds of the formula (I), or salts, tautomers, N-oxides or solvates thereof wherein: R1 is selected from: (a) 2,6-dichlorophenyl; (b) 2,6-difluorophenyl; (c) a 2,3,6-trisubstituted phenyl group wherein the substituents for the phenyl group are selected from fluorine, chlorine, methyl and methoxy; (d) a group RO; (e) a group R a; (f) a group RIb; (g) a group RIc; (h) a group RId; and 0) 2,6-difluorophenylamino; wherein R) 0υ, r R>llaa, T Rj HbD, T R) HcC, r R>Iidα, r R>>2zaa, r R>22bD and RJ are as defined in the claims. The compounds have activity as inhibitors of cdk kinase (such as cdk1 or cdk2) and glycogen synthase kinase-3 activity.

  该发明提供了式(I)的化合物，或其盐、互变异构体、N-氧化物或溶剂化物，其中：R1选择自：(a)2,6-二氯苯基；(b)2,6-二氟苯基；(c)2,3,6-三取代苯基，其中苯基的取代基选择自氟、氯、甲基和甲氧基；(d)羟基取代基；(e)R a基；(f)RIb基；(g)RIc基；(h)RId基；和(i)2,6-二氟苯基氨基基；其中R) 0υ，r R>llaa，T Rj HbD，T R) HcC，r R>Iidα，r R>>2zaa，r R>22bD和RJ如权利要求所定义。该化合物具有作为cdk激酶（如cdk1或cdk2）和糖原合成酶激酶-3活性抑制剂的活性。
• PHARMACEUTICAL COMBINATIONS
  申请人：Curry Jayne Elizabeth

  公开号：US20110159111A1

  公开（公告）日：2011-06-30

  The invention provides combinations of an ancillary compound of the formula (0): and a compound of the formula (I′): Also provided are crystalline forms of the constituent compounds, methods for making them and their uses in treating cancers.

  本发明提供了公式（0）的辅助化合物和公式（I'）的化合物的组合物。此外，还提供了组成化合物的晶体形式，制备它们的方法以及它们在治疗癌症方面的用途。