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3-羟基-7-甲基-1H-吲唑 | 120277-21-6

中文名称
3-羟基-7-甲基-1H-吲唑
中文别名
7-甲基-1H-吲唑-3-醇
英文名称
7-methyl-1H-indazol-3-ol
英文别名
7-methyl-1,2-dihydroindazol-3-one
3-羟基-7-甲基-1H-吲唑化学式
CAS
120277-21-6
化学式
C8H8N2O
mdl
——
分子量
148.164
InChiKey
CJOVTXHCNDSIQZ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    205.9±10.0 °C(Predicted)
  • 密度:
    1.201±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.5
  • 重原子数:
    11
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.12
  • 拓扑面积:
    41.1
  • 氢给体数:
    2
  • 氢受体数:
    2

安全信息

  • 海关编码:
    2933990090

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    Discovery of phenoxyindazoles and phenylthioindazoles as RORγ inverse agonists
    摘要:
    Targeting the IL17 pathway and more specifically the nuclear receptor ROR gamma is thought to be beneficial in multiple skin disorders. The Letter describes the discovery of phenoxyindazoles and thiophenoxy indazoles as potent ROR gamma inverse agonists. Optimization of the potency and efforts to mitigate the phototoxic liability of the series are presented. Finally, crystallization of the lead compound revealed that the series bound to an allosteric site of the nuclear receptor. Such compounds could be useful as tool compounds for understanding the impact of topical treatment on skin disease models. (C) 2016 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2016.10.023
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文献信息

  • TRIS(HETERO)ARYLPYRAZOLES AND USE THEREOF
    申请人:AICURIS GMBH & CO. KG
    公开号:US20150203500A1
    公开(公告)日:2015-07-23
    The present invention relates to new tri(hetero)aryl pyrazoles, methods for their preparation, their use for treating and/or preventing diseases as well as their use in the preparation of drugs for treating and/or preventing diseases, in particular retroviral diseases in humans and/or animals.
    本发明涉及新的三(杂)芳基吡唑,其制备方法,其用于治疗和/或预防疾病以及其在制备用于治疗和/或预防疾病的药物中的应用,特别是用于人类和/或动物的逆转录病毒性疾病。
  • Therapeutic preparations
    申请人:IMPERIAL CHEMICAL INDUSTRIES PLC
    公开号:EP0284174A1
    公开(公告)日:1988-09-28
    The invention concerns pharmaceutical compositions containing a 1,2-dihydro-3H-indazol-3-one derivative of the formula I wherein Ra is hydrogen, halogeno, nitro, hydroxy, (2-6C)alkanoyloxy, (1-6C)alkyl, (1-6C)alkoxy, fluoro-(1-4C)alkyl, (2-6C)alkanoyl, amino, (1-6C)alkylamino, di-[(1-4C)alkyl]amino, (2-6C)alkanoylamino or hydroxy-­(1-6C)alkyl; Rb is hydrogen, halogeno, (1-6C)alkyl or (1-6C)alkoxy; and Y is a group of the formula -A¹-X-A²-Q in which A¹ is (1-6C)alkylene, (3-6C)alkenylene, (3-6C)alkynylene or cyclo(3-6C)alkylene, or A¹ is phenylene; X is oxy, thio, sulphinyl, sulphonyl, imino, (1-­6C)alkylimino, (1-6C)alkanoylimino, iminocarbonyl or phenylene, or X is a direct link to A²; A² is (1-6C)alkylene, (3-6C)alkenylene or (3-­6C)alkynylene or A² is cyclo(3-6C)alkylene or is a direct link to Q, or the group A¹-X-A² is a direct link to Q; or Y is (2-10)alkyl, (3-­10C)alkenyl or (3-6C)alkynyl; and Q is aryl or heteroaryl. The invention also provides novel 1,2-dihydro-3H-indazol-3-­ones, processes for their production and the use of 1,2-dihydro-3H-­indazol-3-one for the manufacture of medicaments for the treatment of various allergic and inflammatory diseases.
    本发明涉及含有式 I 的 1,2-二氢-3H-吲唑-3-酮衍生物的药物组合物 其中Ra是氢、卤素、硝基、羟基、(2-6C)烷酰氧基、(1-6C)烷基、(1-6C)烷氧基、-(1-4C)烷基、(2-6C)烷酰基、基、(1-6C)烷基基、二[(1-4C)烷基]基、(2-6C)烷酰基或羟基-(1-6C)烷基;Rb 是氢、卤素、(1-6C)烷基或 (1-6C)烷氧基;以及 Y 是式 -A¹-X-A²-Q 的基团,其中 A¹ 是 (1-6C)亚烷基、(3-6C)烯基、(3-6C)炔基或环(3-6C)亚烷基,或 A¹ 是亚苯基;X 是氧基、代、亚砜基、磺酰基、亚基、(1-6C)烷基亚基、(1-6C)烷酰亚基、亚基羰基或亚苯基,或 X 是与 A² 的直接连接;A²是(1-6C)亚烷基、(3-6C)亚烯基或(3-6C)亚炔基,或A²是环(3-6C)亚烷基,或与Q直接相连,或基团A¹-X-A²与Q直接相连;或Y是(2-10)烷基、(3-10C)亚烯基或(3-6C)亚炔基;且Q是芳基或杂芳基。 本发明还提供了新型 1,2-二氢-3H-吲唑-3-酮、其生产工艺以及 1,2-二氢-3H-吲唑-3-酮用于制造治疗各种过敏性和炎症性疾病的药物。
  • Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase
    申请人:CS PHARMATECH LIMITED
    公开号:US10435388B2
    公开(公告)日:2019-10-08
    The present invention provides compounds of Formula (I) or a subgeneric structure or species thereof or a pharmaceutically acceptable salt, ester, solvate, and/or prodrug thereof and methods and compositions for treating or ameliorating abnormal cell proliferative disorders, such as cancer, wherein A, R2, R3, R10, E1, E2, E3, Y, and Z are as defined herein.
    本发明提供了式(I)化合物或其亚属结构或种类或其药学上可接受的盐、酯、溶液剂和/或原药,以及用于治疗或改善异常细胞增殖性疾病(如癌症)的方法和组合物,其中A、R2、R3、R10、E1、E2、E3、Y和Z如本文所定义。
  • SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE
    申请人:CS PHARMATECH LIMITED
    公开号:US20190023689A1
    公开(公告)日:2019-01-24
    The present invention provides compounds of Formula (I) or a subgeneric structure or species thereof or a pharmaceutically acceptable salt, ester, solvate, and/or prodrug thereof and methods and compositions for treating or ameliorating abnormal cell proliferative disorders, such as cancer, wherein A, R 2 , R 3 , R 10 , E 1 , E 2 , E 3 , Y, and Z are as defined herein.
  • US9249148B2
    申请人:——
    公开号:US9249148B2
    公开(公告)日:2016-02-02
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