4-chloro-3-iodo-1-trityl-1H-pyrazolo[4,3-c]pyridine | 1246350-27-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4-chloro-3-iodo-1-trityl-1H-pyrazolo[4,3-c]pyridine
• 英文别名: 4-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
• CAS: 1246350-27-5
• 化学式: C₂₅H₁₇ClIN₃
• 分子量: 521.788
• InChiKey: GNEBCKDLSGJWKO-UHFFFAOYSA-N

物化性质

• 沸点：
  635.9±55.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-chloro-3-iodo-1-trityl-1H-pyrazolo[4,3-c]pyridine 在 tris-(dibenzylideneacetone)dipalladium(0) sodium hydride 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 为溶剂， 反应 22.5h， 生成 4-cyclohexyloxy-3-pyrrolidin-1-yl-1-trityl-1H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  [EN] COMPOUNDS
  [FR] COMPOSÉS

  摘要：

  一种具有式（I）的化合物，或其药学上可接受的盐或酯，其中R1选自：芳基；杂环芳基；-NHR3；融合芳基-C4-7-杂环烷基；-CONR4R5；-NHCOR6；-C3-7-环烷基；-O-C3-7-环烷基；-NR3R6；和可选择地取代的-C1-6烷基；其中所述的芳基、杂环芳基、融合芳基-C4-7-杂环烷基和C4-7-杂环烷基均可选择地取代；R2选自氢、芳基、C1-6-烷基、C2-6-烯基、C3-7-环烷基、杂环芳基、C4-7-杂环烷基和卤素，其中所述的C1-6-烷基、C2-6-烯基、芳基、杂环芳基和C4-7-杂环烷基均可选择地取代。进一步涉及制备具有式（I）的化合物的药物组合物、治疗用途和制备方法的其他方面。

  公开号：

  WO2010106333A1
• 作为产物：
  描述：

  2,4-二氯吡啶 在 正丁基锂 、 碘 、 sodium hydride 、 一水合肼 、 二异丙胺 、 potassium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙二醇二甲醚 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.5h， 生成 4-chloro-3-iodo-1-trityl-1H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  [EN] COMPOUNDS
  [FR] COMPOSÉS

  摘要：

  一种具有式（I）的化合物，或其药学上可接受的盐或酯，其中R1选自：芳基；杂环芳基；-NHR3；融合芳基-C4-7-杂环烷基；-CONR4R5；-NHCOR6；-C3-7-环烷基；-O-C3-7-环烷基；-NR3R6；和可选择地取代的-C1-6烷基；其中所述的芳基、杂环芳基、融合芳基-C4-7-杂环烷基和C4-7-杂环烷基均可选择地取代；R2选自氢、芳基、C1-6-烷基、C2-6-烯基、C3-7-环烷基、杂环芳基、C4-7-杂环烷基和卤素，其中所述的C1-6-烷基、C2-6-烯基、芳基、杂环芳基和C4-7-杂环烷基均可选择地取代。进一步涉及制备具有式（I）的化合物的药物组合物、治疗用途和制备方法的其他方面。

  公开号：

  WO2010106333A1

文献信息

• [EN] PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2<br/>[FR] PYRAZOLOPYRIDINES COMME INHIBITEURS DE LA KINASE LRRK2
  申请人：MEDICAL RES COUNCIL TECHNOLOGY

  公开号：WO2012038743A1

  公开（公告）日：2012-03-29

  The present invention relates to compounds of formula I, or pharmaceutically acceptable salts or esters thereof, (Formula I) wherein R1 is selected from: aryl; heteroaryl; -NHR3; fused aryl-C4_7-heterocycloalkyl; -CONR4R5; - NHCOR6; -C3-7-cycloalkyl,-NR3R6; -OR3; OH; NR4R5; and alkyl optionally substituted with a substituent selected from R11 and a group A; wherein said aryl, heteroaryl, fused aryl-C4-7-heterocycloalkyl and C4-7- heterocycloalkyi are each optionally substituted with one or more substituents selected from C1-6-alkyl, C3-7-cycloalkyl, heteroaryl, C4-7-heterocycloalkyl, aryl and a group A, and said C1-6-alkyl, C3-7-cycloalkyl, heteroaryl, C4-7-heterocycloalkyl, and aryl substituents are in turn each optionally substituted with one or more groups selected from R11 and a group A; R2 is selected from hydrogen, aryl, C1-6-alkyl, C2-6-alkenyl, C3-7-cycloalkyl, heteroaryl, heterocycloalkyi, fused aryl-C4-7-rheterocycloalkyl and halogen, wherein said C1-6-alkyl, C2-6-alkenyl, aryl, heteroaryl, fused aryl-C4-7-heterocycloalkyl and C4-7-heterocycloalkyl are each optionally substituted with one or more substituents selected from R11 and A. Further aspects relate to pharmaceutical compositions and therapeutic uses of said compounds.

  本发明涉及式I的化合物，或其药学上可接受的盐或酯，其中R1选自：芳基；杂环芳基；-NHR3；融合芳基-C4_7-杂环烷基；-CONR4R5；-NHCOR6；-C3-7-环烷基，-NR3R6；-OR3；OH；NR4R5；和烷基，可选择地被来自R11和A组的取代基取代；其中所述的芳基，杂环芳基，融合芳基-C4-7-杂环烷基和C4-7-杂环烷基可分别被来自C1-6-烷基，C3-7-环烷基，杂环芳基，C4-7-杂环烷基，芳基和A组的一个或多个取代基取代，而所述的C1-6-烷基，C3-7-环烷基，杂环芳基，C4-7-杂环烷基和芳基取代基又可分别被来自R11和A组的一个或多个基团取代；R2选自氢，芳基，C1-6-烷基，C2-6-烯基，C3-7-环烷基，杂环芳基，杂环烷基，融合芳基-C4-7-杂环烷基和卤素，其中所述的C1-6-烷基，C2-6-烯基，芳基，杂环芳基，融合芳基-C4-7-杂环烷基和C4-7-杂环烷基可分别被来自R11和A的一个或多个取代基取代。进一步方面涉及所述化合物的药物组合物和治疗用途。
• PYRAZOLOPYRIDINE COMPOUNDS
  申请人：Genentech, Inc.

  公开号：US20140288043A1

  公开（公告）日：2014-09-25

  A first aspect of the invention relates to a compound of formula (1A) or (1B), or a pharmaceutically acceptable salt thereof, Wherein R 1 is a group selected from alkyl, monocyclic heterocycloalkyl, bicyclic heterocycloalkyl and cycloalkyl, each of which is optionally substituted, and wherein X 1 , X 2 , X 3 and X 4 are as defined herein. Further aspects relate to pharmaceutical compositions, therapeutic uses and process for preparing compounds of formula (1A) and (1B).

  该发明的第一个方面涉及公式（1A）或（1B）的化合物，或其药用盐，其中R1是从烷基、单环杂环烷基、双环杂环烷基和环烷基中选择的基团，每个基团可以选择性地被取代，X1、X2、X3和X4的定义如本文所述。进一步方面涉及制药组合物、治疗用途和制备公式（1A）和（1B）化合物的过程。
• [EN] PYRAZOLOPYRIDINES FOR TREATMENT OF PARKINSONS DISEASE<br/>[FR] PYRAZOLOPYRIDINES POUR LE TRAITEMENT DE LA MALADIE DE PARKINSON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013139882A1

  公开（公告）日：2013-09-26

  The invention relates to a compound of formula (1A) or (1B), or a pharmaceutically acceptable salt thereof, Wherein R1 is a group selected from alkyl, monocyclic heterocycloalkyl, bicyclic heterocycloalkyl and cycloalkyl, each of which is optionally substituted by one or more groups selected from alkyl, halo and cycloalkyl; for formula (1A): one, two or three of X1, X2, X3 and X4 are N, and the remainder are each independently CR2; or for formula (1B): X4 is C or N; and one or two of X1, X2and X3 are independently selected from N and NR8, and the remainder are each independently CR2; such that X1, X2,X3,X4and N form a heteroaryl group; each R2 is independently selected from H, alkyl, CN, halo, heteroaryl, heterocycloalkyl, cycloalkyl, OR4, CONR5R6 and SO2R7, wherein said alkyl, heteroaryl, heterocycloalkyl and cycloalkyl groups are each optionally further substituted by one or more groups selected from alkyl, halo and OR9; each R8 is independently selected from H and alkyl, wherein said alkyl group is optionally further substituted by one or more groups selected from CN, halo, heteroaryl, heterocycloalkyl, cycloalkyl, OR4, CONR5R6 and SO2R7; R4, R5, R6, R7and R9 are each independently selected from H and alkyl; or R5 and R6 together with the nitrogen to which they are attached are linked to form a cyclic group which optionally further comprises one or more heteroatoms selected from O, N and S; with the proviso that when the compound is of formula (IB), the compound is other than 3-(5-isopropyl-4H-1,2,4-triazol-3-yl)-N- (tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine or 3-(5-cyclopropyl-4H-,2,4-triazol-3-yl)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine. Further aspects relate to pharmaceutical compositions, therapeutic uses and process for preparing compounds of formula (1A) and (1B).

  该发明涉及公式（1A）或（1B）的化合物，或其药学上可接受的盐，其中R1是从烷基、单环杂环烷基、双环杂环烷基和环烷基中选择的基团，每个基团可选择性地被一个或多个来自烷基、卤素和环烷基的基团取代；对于公式（1A）：X1、X2、X3和X4中的一个、两个或三个为N，其余各自独立地为CR2；或对于公式（1B）：X4为C或N；X1、X2和X3中的一个或两个独立地从N和NR8中选择，其余各自独立地为CR2；使得X1、X2、X3、X4和N形成一个杂芳基团；每个R2独立地从H、烷基、CN、卤素、杂芳基、杂环烷基、环烷基、OR4、CONR5R6和SO2R7中选择，其中所述的烷基、杂芳基、杂环烷基和环烷基基团可进一步被一个或多个来自烷基、卤素和OR9的基团取代；每个R8独立地从H和烷基中选择，其中所述的烷基基团可进一步被一个或多个来自CN、卤素、杂芳基、杂环烷基、环烷基、OR4、CONR5R6和SO2R7的基团取代；R4、R5、R6、R7和R9各自独立地从H和烷基中选择；或R5和R6与它们连接的氮一起形成一个环状基团，该基团可选择性地进一步包含一个或多个来自O、N和S的杂原子；但是当化合物为公式（IB）时，化合物不是3-(5-异丙基-4H-1,2,4-三唑-3-基)-N-(四氢-2H-吡喃-4-基)-1H-吡唑并[4,3-c]吡啶-4-胺或3-(5-环丙基-4H-1,2,4-三唑-3-基)-N-(四氢-2H-吡喃-4-基)-1H-吡唑并[4,3-c]吡啶-4-胺。进一步涉及制备公式（1A）和（1B）化合物的药物组合物、治疗用途和工艺方面。
• COMPOUNDS
  申请人：CHAN Bryan K.

  公开号：US20120295883A1

  公开（公告）日：2012-11-22

  The present invention relates to substituted pyrazolopyridine compounds, and pharmaceutically acceptable salts or esters thereof. The present invention further relates to therapeutic uses of pharmaceutical compositions comprising the substituted pyrazolopyridine compounds, for example, in cancer and neurodegenerative diseases.

  本发明涉及取代的吡唑吡啶化合物，以及其药学上可接受的盐或酯。本发明还涉及包括所述取代的吡唑吡啶化合物的药物组合物的治疗用途，例如用于癌症和神经退行性疾病。
• HETEROCYCLIC COMPOUND
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20150141406A1

  公开（公告）日：2015-05-21

  The present invention provides a compound having a superior JAK inhibitory action, which is useful as an agent for the prophylaxis or treatment of autoimmune diseases (rheumatoid arthritis, psoriasis, inflammatory bowel disease, Sjogren's syndrome, Behcet's disease, multiple sclerosis, systemic lupus erythematosus, etc.), cancer (leukemia, uterine leiomyosarcoma, prostate cancer, multiple myeloma, cachexia, myelofibrosis, etc.) and the like, or a salt thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有优异的JAK抑制作用的化合物，可用作自身免疫性疾病（类风湿性关节炎、银屑病、炎症性肠病、干燥综合征、Behcet病、多发性硬化症、系统性红斑狼疮等）、癌症（白血病、子宫平滑肌肉肉瘤、前列腺癌、多发性骨髓瘤、消瘦、骨髓纤维化等）等的预防或治疗剂，或其盐。本发明涉及一个由公式表示的化合物，其中每个符号如规范中所定义，或其盐。