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5-bromo-6-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole | 1613504-82-7

中文名称
——
中文别名
——
英文名称
5-bromo-6-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
英文别名
5-Bromo-6-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole;5-bromo-6-methyl-1-(oxan-2-yl)indazole
5-bromo-6-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole化学式
CAS
1613504-82-7
化学式
C13H15BrN2O
mdl
——
分子量
295.179
InChiKey
CRDSGOQQAORQGB-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:
    419.1±45.0 °C(Predicted)
  • 密度:
    1.55±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.4
  • 重原子数:
    17
  • 可旋转键数:
    1
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.46
  • 拓扑面积:
    27
  • 氢给体数:
    0
  • 氢受体数:
    2

反应信息

点击查看最新优质反应信息

文献信息

  • Discovery, Optimization, and Biological Evaluation of 5-(2-(Trifluoromethyl)phenyl)indazoles as a Novel Class of Transient Receptor Potential A1 (TRPA1) Antagonists
    作者:Lisa Rooney、Agnès Vidal、Anne-Marie D’Souza、Nick Devereux、Brian Masick、Valerie Boissel、Ryan West、Victoria Head、Rowan Stringer、Jianmin Lao、Matt J. Petrus、Ardem Patapoutian、Mark Nash、Natalie Stoakley、Moh Panesar、J. Martin Verkuyl、Andrew M. Schumacher、H. Michael Petrassi、David C. Tully
    DOI:10.1021/jm401986p
    日期:2014.6.26
    A high throughput screening campaign identified 5-(2-chlorophenyl)indazole compound 4 as an antagonist of the transient receptor potential A1 (TRPA1) ion channel with IC50 = 1.23 μM. Hit to lead medicinal chemistry optimization established the SAR around the indazole ring system, demonstrating that a trifluoromethyl group at the 2-position of the phenyl ring in combination with various substituents at the 6-position of the indazole ring greatly contributed to improvements in vitro activity. Further lead optimization resulted in the identification of compound 31, a potent and selective antagonist of TRPA1 in vitro (IC50 = 0.015 μM), which has moderate oral bioavailability in rodents and demonstrates robust activity in vivo in several rodent models of inflammatory pain.
  • [EN] QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR DES GLUCOCORTICOÏDES D'INDAZOLE QUATERNAIRE
    申请人:CORCEPT THERAPEUTICS INC
    公开号:WO2021262587A1
    公开(公告)日:2021-12-30
    The present disclosure provides compounds of Formula I or II. Compounds of Formula I or II may be used in pharmaceutical formulations, and may be used for modulating glucocorticoid receptors.
    本公开提供了Formula I或II的化合物。Formula I或II的化合物可以用于制药配方,并可用于调节糖皮质激素受体。
  • US2023/192666
    申请人:——
    公开号:——
    公开(公告)日:——
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