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N-(2-(2-methyl-1H-indol-1-yl)ethyl)-4-(pyrrolidin-1-yl)benzamide | 1616960-77-0

中文名称
——
中文别名
——
英文名称
N-(2-(2-methyl-1H-indol-1-yl)ethyl)-4-(pyrrolidin-1-yl)benzamide
英文别名
N-[2-(2-methylindol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
N-(2-(2-methyl-1H-indol-1-yl)ethyl)-4-(pyrrolidin-1-yl)benzamide化学式
CAS
1616960-77-0
化学式
C22H25N3O
mdl
——
分子量
347.46
InChiKey
IYPRJNXZAXNHBD-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

计算性质

  • 辛醇/水分配系数(LogP):
    3.9
  • 重原子数:
    26
  • 可旋转键数:
    5
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.32
  • 拓扑面积:
    37.3
  • 氢给体数:
    1
  • 氢受体数:
    2

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    参考文献:
    名称:
    Development of second generation EP2 antagonists with high selectivity
    摘要:
    EP2 receptor has emerged as an important biological target for therapeutic intervention. In particular, it has been shown to exacerbate disease progression of a variety of CNS and peripheral diseases. Deletion of the EP2 receptor in mouse models recapitulates several features of the COX-2 inhibition, thus presenting a new avenue for anti-inflammatory therapy which could bypass some of the adverse side effects observed by the COX-2 inhibition therapy. We have recently reported a cinnamic amide class of EP2 antagonists with high potency, but these compounds exhibited a moderate selectivity against prostanoid receptor DP1. Moreover they possess acrylamide moiety in the structure, which may result in liver toxicity over longer period of use in a chronic disease model. Thus, we now developed a second generation compounds that devoid of the acrylamide functionality and possess high potency and improved (>1000-fold) selectivity to EP2 over other prostanoid receptors. (C) 2014 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2014.05.076
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文献信息

  • [EN] PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO<br/>[FR] ANTAGONISTES DU RÉCEPTEUR EP2 DES PROSTAGLANDINES, DÉRIVÉS, COMPOSITIONS ET UTILISATIONS ASSOCIÉS
    申请人:UNIV EMORY
    公开号:WO2015167825A1
    公开(公告)日:2015-11-05
    The disclosure relates to Prostaglandin receptor EP2 antagonists, derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing conditions and diseases in which EP2 receptor activation has a physiological role, such as but not limited to, brain injury, inflammatory diseases, neuroinflamation after a seizure, pain, endometriosis, cancer, rheumatoid arthritis, skin inflammation, vascular inflammation, colitis, and neurological disorders by administering a pharmaceutical composition comprising a compound disclosed herein to a subject in need thereof.
    该披露涉及前列腺素受体EP2拮抗剂,衍生物,组合物以及相关方法。在某些实施例中,该披露涉及治疗或预防EP2受体激活在生理作用中起作用的疾病和疾病的方法,例如但不限于脑损伤,炎症性疾病,癫痫后的神经炎症,疼痛,子宫内膜异位症,癌症,类风湿性关节炎,皮肤炎症,血管炎症,结肠炎和神经系统疾病,通过向需要的受试者给予包含本文所披露的化合物的药物组合物进行治疗。
  • Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto
    申请人:Emory University
    公开号:US10052332B2
    公开(公告)日:2018-08-21
    The disclosure relates to Prostaglandin receptor EP2 antagonists, derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing conditions and diseases in which EP2 receptor activation has a physiological role, such as but not limited to, brain injury, inflammatory diseases, neuroinflamation after a seizure, pain, endometriosis, cancer, rheumatoid arthritis, skin inflammation, vascular inflammation, colitis, and neurological disorders by administering a pharmaceutical composition comprising a compound disclosed herein to a subject in need thereof.
    本公开涉及前列腺素受体EP2拮抗剂、衍生物、组合物及其相关方法。在某些实施方案中,本公开涉及通过向有需要的受试者施用包含本文公开的化合物的药物组合物来治疗或预防 EP2 受体激活具有生理作用的病症和疾病的方法,这些病症和疾病包括但不限于脑损伤、炎症性疾病、癫痫发作后的神经损伤、疼痛、子宫内膜异位症、癌症、类风湿性关节炎、皮肤炎症、血管炎症、结肠炎和神经系统疾病。
  • PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO
    申请人:Emory University
    公开号:EP3137074B1
    公开(公告)日:2020-08-05
  • Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto
    申请人:Emory University
    公开号:US20170042905A1
    公开(公告)日:2017-02-16
    The disclosure relates to Prostaglandin receptor EP2 antagonists, derivatives, compositions, and methods related thereto. In certain embodiments, the disclosure relates to methods of treating or preventing conditions and diseases in which EP2 receptor activation has a physiological role, such as but not limited to, brain injury, inflammatory diseases, neuroinflamation after a seizure, pain, endometriosis, cancer, rheumatoid arthritis, skin inflammation, vascular inflammation, colitis, and neurological disorders by administering a pharmaceutical composition comprising a compound disclosed herein to a subject in need thereof.
  • Development of second generation EP2 antagonists with high selectivity
    作者:Thota Ganesh、Jianxiong Jiang、Ray Dingledine
    DOI:10.1016/j.ejmech.2014.05.076
    日期:2014.7
    EP2 receptor has emerged as an important biological target for therapeutic intervention. In particular, it has been shown to exacerbate disease progression of a variety of CNS and peripheral diseases. Deletion of the EP2 receptor in mouse models recapitulates several features of the COX-2 inhibition, thus presenting a new avenue for anti-inflammatory therapy which could bypass some of the adverse side effects observed by the COX-2 inhibition therapy. We have recently reported a cinnamic amide class of EP2 antagonists with high potency, but these compounds exhibited a moderate selectivity against prostanoid receptor DP1. Moreover they possess acrylamide moiety in the structure, which may result in liver toxicity over longer period of use in a chronic disease model. Thus, we now developed a second generation compounds that devoid of the acrylamide functionality and possess high potency and improved (>1000-fold) selectivity to EP2 over other prostanoid receptors. (C) 2014 Elsevier Masson SAS. All rights reserved.
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