3-isobutoxybenzoyl chloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-isobutoxybenzoyl chloride
• 英文别名: 3-(2-methylpropoxy)benzoyl chloride
• 化学式: C₁₁H₁₃ClO₂
• mdl: MFCD03031490
• 分子量: 212.676
• InChiKey: MZEIEHVQQRRKNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-isobutoxybenzoyl chloride 、 3-溴-2-氰基吡啶 生成 3-(3-isobutoxybenzoyl)picolinonitrile
  参考文献：
  名称：

  NEW COMPOUNDS 575

  摘要：

  本发明涉及式（I）的新化合物及其制药组合物。此外，本发明涉及治疗和/或预防与Aβ相关的病理学，如唐氏综合症，β-淀粉样血管病，如但不限于脑淀粉样血管病或遗传性脑出血，与认知障碍相关的疾病，如但不限于轻度认知障碍（MCI），阿尔茨海默病，记忆丧失，与阿尔茨海默病相关的注意力缺陷症状，与疾病相关的神经退行性疾病，如阿尔茨海默病或痴呆症，包括混合血管性和退行性起源的痴呆，早老性痴呆，老年性痴呆和与帕金森病，进行性核上性麻痹或皮质基底节变性相关的痴呆。

  公开号：

  US20100125087A1
• 作为产物：
  描述：

  间羟基苯甲酸 在 potassium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 3-isobutoxybenzoyl chloride
  参考文献：
  名称：

  双苯甲酰胺作为雄激素受体-共激活剂相互作用抑制剂的结构-活性关系研究

  摘要：

  雄激素受体 (AR) 和共激活蛋白之间的相互作用在 AR 介导的前列腺癌 (PCa) 细胞生长中起着关键作用，因此其抑制作用正在成为一种有前景的 PCa 治疗策略。为了开发 AR-共激活剂相互作用的有效抑制剂，我们通过修饰 N/C 末端和侧链的官能团设计并合成了一系列双苯甲酰胺。构效关系研究表明，双苯甲酰胺 N 端的硝基对其生物活性至关重要，而 C 端可以有甲酯或伯甲酰胺。调查具有各种烷基的侧链导致鉴定出对 PCa 细胞表现出抗增殖活性（IC50 值为 16 nM）的强效化合物 14d。此外，

  DOI：

  10.3390/molecules24152783

文献信息

• Perturbation of the c-Myc–Max Protein–Protein Interaction via Synthetic α-Helix Mimetics
  作者：Kwan-Young Jung、Huabo Wang、Peter Teriete、Jeremy L. Yap、Lijia Chen、Maryanna E. Lanning、Angela Hu、Lester J. Lambert、Toril Holien、Anders Sundan、Nicholas D. P. Cosford、Edward V. Prochownik、Steven Fletcher

  DOI：10.1021/jm501440q

  日期：2015.4.9

  The rational design of inhibitors of the bHLH-ZIP oncoprotein c-Myc is hampered by a lack of structure in its monomeric state. We describe herein the design of novel, low-molecular-weight, synthetic a-helix mimetics that recognize helical c-Myc in its transcriptionally active coiled-coil structure in association with its obligate bHLH-ZIP partner Max. These compounds perturb the heterodimers binding to its canonical E-box DNA sequence without causing protein-protein dissociation, heralding a new mechanistic class of direct c-Myc inhibitors. In addition to electrophoretic mobility shift assays, this model was corroborated by further biophysical methods, including NMR spectroscopy and surface plasmon resonance. Several compounds demonstrated a 2-fold or greater selectivity for c-Myc-Max heterodimers over Max-Max homodimers with IC50 values as low as 5.6 mu M. Finally, these compounds inhibited the proliferation of c-Myc-expressing cell lines in a concentration-dependent manner that correlated with the loss of expression of a c-Myc-dependent reporter plasmid despite the fact that c-MycMax heterodimers remained intact.
• [EN] NEW COMPOUNDS 575<br/>[FR] NOUVEAUX COMPOSÉS 575
  申请人：ASTRAZENECA AB

  公开号：WO2010056195A1

  公开（公告）日：2010-05-20

  The present invention relates to novel compounds of formula (I) and their pharmaceutical compositions. In addition, the present invention relates to therapeutic methods for the treatment and/or prevention of Aβ-related pathologies such as Downs syndrome, β-amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI ("mild cognitive impairment"), Alzheimer Disease, memory loss, attention deficit symptoms associated with Alzheimer disease, neurodegeneration associated with diseases such as Alzheimer disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.
• A Structure—Activity Relationship Study of Bis-Benzamides as Inhibitors of Androgen Receptor—Coactivator Interaction
  作者：Tae-Kyung Lee、Preethi Ravindranathan、Rajni Sonavane、Ganesh V. Raj、Jung-Mo Ahn

  DOI：10.3390/molecules24152783

  日期：——

  chains. A structure–activity relationship study showed that the nitro group at the N-terminus of the bis-benzamide is essential for its biological activity while the C-terminus can have either a methyl ester or a primary carboxamide. Surveying the side chains with various alkyl groups led to the identification of a potent compound 14d that exhibited antiproliferative activity (IC50 value of 16 nM) on PCa

  雄激素受体 (AR) 和共激活蛋白之间的相互作用在 AR 介导的前列腺癌 (PCa) 细胞生长中起着关键作用，因此其抑制作用正在成为一种有前景的 PCa 治疗策略。为了开发 AR-共激活剂相互作用的有效抑制剂，我们通过修饰 N/C 末端和侧链的官能团设计并合成了一系列双苯甲酰胺。构效关系研究表明，双苯甲酰胺 N 端的硝基对其生物活性至关重要，而 C 端可以有甲酯或伯甲酰胺。调查具有各种烷基的侧链导致鉴定出对 PCa 细胞表现出抗增殖活性（IC50 值为 16 nM）的强效化合物 14d。此外，
• NEW COMPOUNDS 575
  申请人：HOLENZ Jorg

  公开号：US20100125087A1

  公开（公告）日：2010-05-20

  The present invention relates to novel compounds of formula (I) and their pharmaceutical compositions. In addition, the present invention relates to therapeutic methods for the treatment and/or prevention of Aβ-related pathologies such as Downs syndrome, β-amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI (“mild cognitive impairment”), Alzheimer Disease, memory loss, attention deficit symptoms associated with Alzheimer disease, neurodegeneration associated with diseases such as Alzheimer disease or dementia including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease, progressive supranuclear palsy or cortical basal degeneration.

  本发明涉及式（I）的新化合物及其药物组成。此外，本发明涉及治疗方法，用于治疗和/或预防与Aβ相关的病理，如唐氏综合症、β-淀粉样蛋白血管病变，如但不限于脑淀粉样蛋白血管病变或遗传性脑出血，与认知受损相关的疾病，如但不限于MCI（轻度认知障碍）、阿尔茨海默病、记忆丧失、与阿尔茨海默病相关的注意力缺陷症状，与阿尔茨海默病或痴呆症等疾病相关的神经退行性疾病，包括血管性和退行性起源的混合性痴呆、早老性痴呆、老年痴呆和与帕金森病、进行性上核性麻痹或皮层基底节变性相关的痴呆。