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2-(isobutylamino)isonicotinonitrile | 858362-84-2

中文名称
——
中文别名
——
英文名称
2-(isobutylamino)isonicotinonitrile
英文别名
2-(2-Methylpropylamino)pyridine-4-carbonitrile
2-(isobutylamino)isonicotinonitrile化学式
CAS
858362-84-2
化学式
C10H13N3
mdl
——
分子量
175.233
InChiKey
YYCJPGQREOVZSJ-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):
    2.2
  • 重原子数:
    13
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.4
  • 拓扑面积:
    48.7
  • 氢给体数:
    1
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    2-(isobutylamino)isonicotinonitrile氢气 作用下, 以 甲醇 为溶剂, 20.0 ℃ 、333.4 kPa 条件下, 反应 3.0h, 以77%的产率得到4-(aminomethyl)-N-isobutylpyridin-2-amine
    参考文献:
    名称:
    Discovery of an N-(2-aminopyridin-4-ylmethyl)nicotinamide derivative: a potent and orally bioavailable NCX inhibitor
    摘要:
    Ca2+ overload in myocardial cells is responsible for arrhythmia. Sodium-calcium exchanger (NCX) inhibitors are more effective than sodium hydrogen exchanger (NHE) inhibitors with regard to modulation of Ca2+ overload, because NCX inhibitors can directly inhibit the influx of Ca2+ into cells. NCX is an attractive target for the treatment of heart failure and ischemia-reper-fusion. We have designed and synthesized a series of N-(2-aminopyridin-4-ylmethyl)nicotinamide derivatives, based on compound 5. We have discovered a novel NCX inhibitor (23h) with an IC50 value of 0.12 mu M against reverse NCX. The inhibitory activities of our NCX inhibitors against cytochrome P450 were also evaluated. The effects on heart failure and the pharmacokinetic profile of compound 23h are discussed. (c) 2005 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2005.03.052
  • 作为产物:
    描述:
    2-氯-4-氰基吡啶异丁胺N,N-二异丙基乙胺 作用下, 反应 25.0h, 以29%的产率得到2-(isobutylamino)isonicotinonitrile
    参考文献:
    名称:
    Discovery of an N-(2-aminopyridin-4-ylmethyl)nicotinamide derivative: a potent and orally bioavailable NCX inhibitor
    摘要:
    Ca2+ overload in myocardial cells is responsible for arrhythmia. Sodium-calcium exchanger (NCX) inhibitors are more effective than sodium hydrogen exchanger (NHE) inhibitors with regard to modulation of Ca2+ overload, because NCX inhibitors can directly inhibit the influx of Ca2+ into cells. NCX is an attractive target for the treatment of heart failure and ischemia-reper-fusion. We have designed and synthesized a series of N-(2-aminopyridin-4-ylmethyl)nicotinamide derivatives, based on compound 5. We have discovered a novel NCX inhibitor (23h) with an IC50 value of 0.12 mu M against reverse NCX. The inhibitory activities of our NCX inhibitors against cytochrome P450 were also evaluated. The effects on heart failure and the pharmacokinetic profile of compound 23h are discussed. (c) 2005 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2005.03.052
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文献信息

  • AROMATIC COMPOUND
    申请人:TAKEDA PHARMACEUTICAL COMPANY LIMITED
    公开号:US20160115128A1
    公开(公告)日:2016-04-28
    Provided is a novel aromatic ring compound having a GPR40 agonist activity and a GLP-1 secretagogue action. A compound represented by the formula: wherein each symbol is as described in the DESCRIPTION, or a salt thereof has a GPR40 agonist activity and a GLP-1 secretagogue action, is useful for the prophylaxis or treatment of cancer, obesity, diabetes, hypertension, hyperlipidemia, cardiac failure, diabetic complications, metabolic syndrome, sarcopenia and the like, and affords superior efficacy.
    提供一种具有GPR40激动剂活性和GLP-1分泌素作用的新型芳香环化合物。具有下式表示的化合物: 其中每个符号如描述中所述,或其盐具有GPR40激动剂活性和GLP-1分泌素作用,对于预防或治疗癌症、肥胖症、糖尿病、高血压、高脂血症、心力衰竭、糖尿病并发症、代谢综合征、肌少症等疾病具有用处,并且具有卓越的疗效。
  • US9776962B2
    申请人:——
    公开号:US9776962B2
    公开(公告)日:2017-10-03
  • Discovery of an N-(2-aminopyridin-4-ylmethyl)nicotinamide derivative: a potent and orally bioavailable NCX inhibitor
    作者:Takahiro Kuramochi、Akio Kakefuda、Hiroyoshi Yamada、Issei Tsukamoto、Taku Taguchi、Shuichi Sakamoto
    DOI:10.1016/j.bmc.2005.03.052
    日期:2005.6
    Ca2+ overload in myocardial cells is responsible for arrhythmia. Sodium-calcium exchanger (NCX) inhibitors are more effective than sodium hydrogen exchanger (NHE) inhibitors with regard to modulation of Ca2+ overload, because NCX inhibitors can directly inhibit the influx of Ca2+ into cells. NCX is an attractive target for the treatment of heart failure and ischemia-reper-fusion. We have designed and synthesized a series of N-(2-aminopyridin-4-ylmethyl)nicotinamide derivatives, based on compound 5. We have discovered a novel NCX inhibitor (23h) with an IC50 value of 0.12 mu M against reverse NCX. The inhibitory activities of our NCX inhibitors against cytochrome P450 were also evaluated. The effects on heart failure and the pharmacokinetic profile of compound 23h are discussed. (c) 2005 Elsevier Ltd. All rights reserved.
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