2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine | 1221824-87-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine
• 英文别名: 2-(1-methylpyrazol-3-yl)ethanamine
• CAS: 1221824-87-8
• 化学式: C₆H₁₁N₃
• mdl: MFCD02853710
• 分子量: 125.173
• InChiKey: HVJSAASIIATSGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine 、 7-amino-3-ethyl-2-methyl-5-(methylsulfonyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以12%的产率得到7-amino-3-ethyl-5-{[2-(1-ethyl-1H-pyrazol-3-yl)ethyl]amino}-2- methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
  参考文献：
  名称：

  [EN] DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST
  [FR] COMPOSÉS DIAMINOPYRAZOLO [1,5-A] PYRIMIDINE-6-CARBONITRILE UTILISÉS COMME ANTAGONISTE DU RÉCEPTEUR DE L'ADÉNOSINE 2A ET DE L'ADÉNOSINE 2B

  摘要：

  本公开提供I式化合物或其药学上可接受的盐、络合物、水合物、溶剂物、互变异构体、多晶形、立体异构体、混合物及其药学上活性衍生物。I式化合物作为腺苷受体的拮抗剂。本公开还提供一种制备I式化合物及其药物组合物的方法。

  公开号：

  WO2022149167A1
• 作为产物：
  描述：

  (E)-1-methyl-3-(2-nitrovinyl)-1H-pyrazole 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine
  参考文献：
  名称：

  [EN] DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST
  [FR] COMPOSÉS DIAMINOPYRAZOLO [1,5-A] PYRIMIDINE-6-CARBONITRILE UTILISÉS COMME ANTAGONISTE DU RÉCEPTEUR DE L'ADÉNOSINE 2A ET DE L'ADÉNOSINE 2B

  摘要：

  本公开提供I式化合物或其药学上可接受的盐、络合物、水合物、溶剂物、互变异构体、多晶形、立体异构体、混合物及其药学上活性衍生物。I式化合物作为腺苷受体的拮抗剂。本公开还提供一种制备I式化合物及其药物组合物的方法。

  公开号：

  WO2022149167A1

文献信息

• [EN] QUINOXALINE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS À BASE DE QUINOXALINE ET LEURS UTILISATIONS
  申请人：MILLENNIUM PHARM INC

  公开号：WO2015161142A1

  公开（公告）日：2015-10-22

  This invention provides compounds of formula I and subsets thereof: wherein T, J, R, R4, Rq, o, RA, and RB and subsets thereof are as described in the specification. The compounds are inhibitors of NAMPT and are thus useful for treating cancer, inflammatory conditions, or T-cell mediated autoimmune disease.

  这项发明提供了公式I及其子集的化合物：其中T、J、R、R4、Rq、o、RA和RB以及其子集如规范中所述。这些化合物是NAMPT的抑制剂，因此可用于治疗癌症、炎症性疾病或T细胞介导的自身免疫疾病。
• NITROGEN-CONTAINING FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd.

  公开号：EP3929185A1

  公开（公告）日：2021-12-29

  The present invention relates to a nitrogen-containing fused ring compound, a preparation method and use thereof. Specifically, the present invention relates to a compound having the structure of Formula (X), a stereoisomer, tautomer or mixture thereof, a pharmaceutically acceptable salt, co-crystal, polymorph or solvate thereof, or a stable isotope derivative, metabolite or prodrug thereof. The compound of the invention may have the structure of Formula (I) or Formula (II). These compounds are useful for the treatment of an abnormal cell proliferation disease (e.g., cancer).         R-L-R3     (X)

  本发明涉及一种含氮融合环化合物，其制备方法和用途。具体而言，本发明涉及具有化学式（X）结构的化合物，其立体异构体、互变异构体或它们的混合物，药学上可接受的盐、共晶体、多型体或溶剂合物，或其稳定同位素衍生物、代谢物或前药。本发明的化合物可能具有化学式（I）或化学式（II）的结构。这些化合物对于治疗异常细胞增殖疾病（例如癌症）是有用的。 R-L-R3（X）
• Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase
  申请人：COSTALES Abran

  公开号：US20090035309A1

  公开（公告）日：2009-02-05

  New substituted benzazole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  本发明提供了新的取代苯并咪唑化合物、组合物和抑制人或动物体内Raf激酶活性的方法。这些新化合物组合物可以单独使用或与至少一种其他药物联合使用，用于治疗Raf激酶介导的疾病，如癌症。
• Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents
  申请人：Ohrai Kazuhiko

  公开号：US20080004262A1

  公开（公告）日：2008-01-03

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及式（I）或（II）的苯并吡喃衍生物，或其药学上可接受的盐，其中R1和R2独立地为氢原子，C1-6烷基或C6-14芳基；R3为氢原子或C1-6烷基羰氧基，或与R4一起形成键；R4为氢原子，或与R3一起形成键；m为0至4的整数，n为0至4的整数，V为单键，CR7R8，NR9，O，S，SO或SO2；R5为氢原子或C1-6烷基，R6为氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，二C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基；A为与苯环融合的5、6或7元环，作为环的组成原子，其中单独或组合存在1至3个氧原子、氮原子或硫原子，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常药物。
• Tricyclic benzopyrane compound
  申请人：Ohrai Kazuhiko

  公开号：US20100069374A1

  公开（公告）日：2010-03-18

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及公式（I）或（II）的苯并吡喃衍生物或其药学上可接受的盐， 其中R1和R2独立地是氢原子，C1-6烷基或C6-14芳基，R3是氢原子或C1-6烷基羰氧基，或与R4一起形成键，R4是氢原子，或与R3一起形成键，m是0到4的整数，n是0到4的整数，V是单键，CR7R8，NR9，O，S，SO或SO2，R5是氢原子或C1-6烷基，R6是氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，双C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基，A是与苯环融合的5、6或7成员环，作为环的组成原子，其中含有1到3个氧原子，氮原子或硫原子，或其组合，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常剂。