5-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine | 956440-80-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: 5-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine
• 英文别名: 1-isopropyl-5-methyl-1h-pyrazole-3-amine；1-isopropyl-5-methyl-1H-pyrazol-3-amine；5-methyl-1-propan-2-ylpyrazol-3-amine
• CAS: 956440-80-5
• 化学式: C₇H₁₃N₃
• mdl: MFCD06739302
• 分子量: 139.2
• InChiKey: YRVDRQBBMHLPLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  5-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine 在 palladium on activated charcoal 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-amino-N-(1-isopropyl-5-methyl-1H-pyrazol-3-yl)benzamide
  参考文献：
  名称：

  [EN] MODIFIED PROTEINS AND PROTEIN DEGRADERS
  [FR] PROTÉINES MODIFIÉES ET AGENTS DE DÉGRADATION DE PROTÉINES

  摘要：

  Provided herein are compounds, pharmaceutical compositions, and methods for binding or degrading target proteins. Further provided herein are bifunctional compounds having a DNA damage-binding protein 1 (DDB1) binding moiety, a linker, and a target binding moiety.

  公开号：

  WO2023061440A1
• 作为产物：
  描述：

  1-isopropyl-5-methyl-3-nitro-1H-pyrazole 在 palladium on activated charcoal 、 氢气 作用下， 以 四氢呋喃 为溶剂， 生成 5-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine
  参考文献：
  名称：

  [EN] MODIFIED PROTEINS AND PROTEIN DEGRADERS
  [FR] PROTÉINES MODIFIÉES ET AGENTS DE DÉGRADATION DE PROTÉINES

  摘要：

  Provided herein are compounds, pharmaceutical compositions, and methods for binding or degrading target proteins. Further provided herein are bifunctional compounds having a DNA damage-binding protein 1 (DDB1) binding moiety, a linker, and a target binding moiety.

  公开号：

  WO2023061440A1

文献信息

• AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES
  申请人：Bridgent Biotechnology Inc.

  公开号：US20200148643A1

  公开（公告）日：2020-05-14

  The invention relates to new compounds with low cytotoxicity for blocking the ubiquitination-proteasome system in diseases. Accordingly, these compounds can be used in treatment of disorders including, but not limited to, cancers, neurodegenerative diseases, inflammatory disorders, autoimmune disorders and metabolic disorders.

  该发明涉及一种在疾病中阻断泛素化-蛋白酶体系统的低细胞毒性新化合物。因此，这些化合物可用于治疗包括但不限于癌症、神经退行性疾病、炎症性疾病、自身免疫性疾病和代谢性疾病在内的疾病。
• NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF
  申请人：WAKUNAGA PHARMACEUTICAL CO., LTD.

  公开号：US20200062752A1

  公开（公告）日：2020-02-27

  It is intended to provide a novel compound having high antitumor activity and low toxicity to normal cells. The present invention provides a pyridone carboxylic acid derivative represented by the following formula (1) or a salt thereof wherein R 1 represents a hydrogen atom, a halogen atom or the like; R 2 represents a hydrogen atom, a halogen atom or the like; R 3 to R 6 each represent a hydrogen atom or the like; R 7 represents a hydrogen atom or the like; R 8 represents a hydrogen atom, a halogen atom, the following formula (a) (wherein R a1 and R a2 each represent a hydrogen atom, a hydroxy group, an optionally substituted lower alkyl group or the like) or the like, or R 7 and R 8 together represent —N—OR 10 (wherein R 10 represents a hydrogen atom, an optionally substituted lower alkyl group, or an aralkyl group), or R 7 and R 8 form an optionally substituted 4- to 6-membered saturated hetero ring together with the adjacent carbon atom, or the like; R 9 represents a hydrogen atom or the like; X represents a nitrogen atom or the like; and Y represents a nitrogen atom or the like.

  本发明旨在提供一种具有高抗肿瘤活性和低毒性对正常细胞的新型化合物。本发明提供一种由以下式(1)表示的吡啶酮羧酸衍生物或其盐，其中R1代表氢原子、卤素原子或类似物；R2代表氢原子、卤素原子或类似物；R3至R6各自代表氢原子或类似物；R7代表氢原子或类似物；R8代表氢原子、卤素原子、以下式(a)（其中Ra1和Ra2各自代表氢原子、羟基、可选择取代的低烷基基团或类似物）或类似物，或者R7和R8一起代表—N—OR10（其中R10代表氢原子、可选择取代的低烷基基团或芳基烷基基团），或者R7和R8与相邻碳原子一起形成可选择取代的4-至6元饱和杂环，或类似物；R9代表氢原子或类似物；X代表氮原子或类似物；Y代表氮原子或类似物。
• [EN] PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF<br/>[FR] DÉRIVATIFS DE PYRIDINESULFONAMIDE POUVANT ÊTRE UTILISÉS COMME MODULATEURS TRAP1 ET LEURS UTILISATIONS
  申请人：AMATHUS THERAPEUTICS INC

  公开号：WO2021188907A1

  公开（公告）日：2021-09-23

  The present disclosure provides compounds of Formula (I): and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled compounds, and prodrugs thereof. The provided compounds may be tumor necrosis factor ("TNF") receptor associated protein 1 ("TRAP1") modulators (e.g., TRAP1 activators). The provided compounds may also rescue the activity in PTEN-induced kinase 1 ("PINK1") loss of function contexts. The provided compounds may also improve mitochondrial health, function, quality, quantity, and/or activity, and/or reduce the production of reactive oxygen species. The provided compounds may also refold or solubilize aggregated or misfolded proteins such as a-synuclein. The present disclosure also provides pharmaceutical compositions comprising the provided compounds; kits comprising the provided compounds or pharmaceutical compositions; and methods of using the provided compounds and pharmaceutical compositions (e.g., for treating a disease in a subject in need thereof).

  本公开提供了化合物的化学式（I）和药学上可接受的盐、溶剂化合物、水合物、多晶型、共晶体、互变异构体、立体异构体、同位素标记化合物以及其前药。所提供的化合物可能是肿瘤坏死因子（"TNF"）受体相关蛋白1（"TRAP1"）调节剂（例如，TRAP1激活剂）。所提供的化合物还可能恢复PTEN诱导的激酶1（"PINK1"）功能丧失情况下的活性。所提供的化合物还可能改善线粒体的健康、功能、质量、数量和/或活性，和/或减少活性氧自由基的产生。所提供的化合物还可能对聚集或错误折叠的蛋白质（如α-突触核蛋白）进行重折叠或溶解。本公开还提供了包括所提供化合物的药物组合物；包括所提供化合物或药物组合物的试剂盒；以及使用所提供的化合物和药物组合物的方法（例如，用于治疗需要的受试者的疾病）。
• [EN] PYRROLOPYRIMIDINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF<br/>[FR] COMPOSÉS DE PYRROLOPYRIMIDINE, LEUR UTILISATION À TITRE D'INHIBITEURS DE LA KINASE LRRK2, ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：SOUTHERN RES INST

  公开号：WO2017106771A1

  公开（公告）日：2017-06-22

  The present disclosure is concerned with certain pyrrolopyrimidine compounds that are capable of inhibiting certain protein kinases, and especially the leucine-rich repeat kinase 2 (LRRK2) protein. Compounds of the present disclosure can be used to treat a number of disorders caused by or associated with abnormal LRRK2 kinase activity. Compounds of the present disclosure can be used to treat disorders including neurodegenerative diseases such as Parkinson's disease; precancerous conditions and cancer; autoimmune disorders such as Crohn's disease, rheumatoid arthritis and psoriasis; and leprosy (Hansen's disease). This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本公开涉及某些吡咯吡嘧啶化合物，这些化合物能够抑制某些蛋白激酶，尤其是富含亮氨酸重复激酶2（LRRK2）蛋白。本公开的化合物可用于治疗由或与异常LRRK2激酶活性相关的多种疾病。本公开的化合物可用于治疗包括帕金森病在内的神经退行性疾病；癌前病变和癌症；自身免疫性疾病，如克罗恩病、类风湿关节炎和牛皮癣；以及麻风病（汉森病）。本摘要旨在作为特定领域搜索的扫描工具，并不旨在限制本发明。
• [EN] 3-AMINO-4H-BENZO[E][1,2,4]THIADIAZINE 1,1-DIOXIDE DERIVATIVES AS INHIBITORS OF MRGX2<br/>[FR] DÉRIVÉS DE 1,1-DIOXYDE DE 3-AMINO-4H-BENZO[E][1,2,4]THIADIAZINE EN TANT QU'INHIBITEURS DE MRGX2
  申请人：SOLENT THERAPEUTICS LLC

  公开号：WO2020223255A1

  公开（公告）日：2020-11-05

  Disclosed are compounds of Formula (1), tautomers thereof, and pharmaceutically acceptable salts of the compounds or tautomers, wherein L, R1, R2, R3, R4 and R5 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula (1), to pharmaceutical compositions which contain them, and to their use for treating diseases, disorders or conditions associated with MRGX2.

  本公开涉及Formula (1)的化合物及其互变异构体，以及这些化合物或互变异构体的药用可接受盐，其中L、R1、R2、R3、R4和R5在说明书中有定义。本公开还涉及制备Formula (1)化合物的材料和方法，含有这些化合物的药物组合物，以及它们用于治疗与MRGX2相关的疾病、疾患或症状的用途。