(3R)-3-(tert-butoxycarbonylamino)-3-cyclopropylpropanoic acid | 1260588-00-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (3R)-3-(tert-butoxycarbonylamino)-3-cyclopropylpropanoic acid
• 英文别名: (R)-3-((tert-butoxycarbonyl)amino)-3-cyclopropylpropanoic acid；(3R)-3-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• CAS: 1260588-00-8
• 化学式: C₁₁H₁₉NO₄
• 分子量: 229.276
• InChiKey: VGEUFFPHZNVSKU-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3R)-3-(tert-butoxycarbonylamino)-3-cyclopropylpropanoic acid 、 鸦胆子苦醇 在 盐酸 、 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 水 为溶剂， 生成 methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10-[(3R)-3-amino-3-cyclopropylpropanoyl]oxy-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
  参考文献：
  名称：

  鼠李的3-β-高丙氨酸缀合物在小鼠体内的毒性降低的鉴定

  摘要：

  如我们最近以PI3Kγ亚型为靶点报道的那样，一种类天然天然产物Brusatol可有效抵抗多种疾病，包括血液系统恶性肿瘤，但毒性限制了它的进一步发展。在本文中，我们报道了在C-3的烯醇羟基处合成一系列Brusatol与氨基酸和短肽的缀合物。许多具有较小氨基酸和肽的结合物显示出与Brusatol相当的活性。通过体外和体内评估，我们确定了UPB-26，这是一种Brusatol与L-β-高丙氨酸的共轭物，在生理pH值（SGF和SIF）下表现出良好的化学稳定性，在人和人体内都具有中等的向Brusatol的转化率大鼠血浆，改善了小鼠肝脏微粒体的稳定性，最令人鼓舞的是，

  DOI：

  10.1016/j.bmcl.2020.127553

文献信息

• [EN] INHIBITORS OF APOL1 AND METHODS OF USING SAME<br/>[FR] INHIBITEURS D'APOL1 ET LEURS MÉTHODES D'UTILISATION
  申请人：VERTEX PHARMA

  公开号：WO2022047031A1

  公开（公告）日：2022-03-03

  The disclosure provides at least one entity chosen from compounds of Formula I, a tautomer thereof, a deuterated derivative of that compound or tautomer, and a pharmaceutically acceptable salt of any of the foregoing, compositions comprising the same, and methods of using the same, including uses in treating APOL1-mediated diseases, including pancreatic cancer, focal segmental glomerulosclerosis (FSGS), and/or non-diabetic kidney disease (NDKD).

  该披露提供了至少选择自化合物I的实体，其互变异构体，该化合物或互变异构体的氘代衍生物，以及前述任何一种的药用盐，包括包含相同实体的组合物，以及使用相同实体的方法，包括用于治疗APOL1介导的疾病，包括胰腺癌、局灶性节段性肾小球硬化（FSGS）和/或非糖尿病肾病（NDKD）的用途。
• [EN] 2,2-DIFLUORODIOXOLO A2A RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES 2,2-DIFLUORODIOXOLO DU RÉCEPTEUR A2A
  申请人：MERCK SHARP & DOHME

  公开号：WO2015027431A1

  公开（公告）日：2015-03-05

  The present invention is directed to 2,2-difluorodioxolo compounds that are antagonists of A2A receptor. The present invention is also directed to uses of the 2,2-difluorodioxolo compounds described herein in the potential treatment or prevention of neurological disorders and diseases in which A2A receptor are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds and to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which A2A receptors are involved.

  本发明涉及对A2A受体拮抗剂的2,2-二氟二氧杂环己烷化合物。本发明还涉及在潜在治疗或预防涉及A2A受体的神经系统疾病和疾病中使用本文所述的2,2-二氟二氧杂环己烷化合物。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及A2A受体的这些疾病中使用这些药物组合物的用途。
• 2,2-DIFLUORODIOXOLO A2A RECEPTOR ANTAGONISTS
  申请人：ALI Amjad

  公开号：US20160214997A1

  公开（公告）日：2016-07-28

  The present invention is directed to 2,2-difluorodioxolo compounds that are antagonists of A 2A receptor. The present invention is also directed to uses of the 2,2-difluorodioxolo compounds described herein in the potential treatment or prevention of neurological disorders and diseases in which A 2A receptor are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds and to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which A 2A receptors are involved.

  本发明涉及2,2-二氟二氧杂环己烷化合物，其为A2A受体拮抗剂。本发明还涉及使用本说明书中描述的2,2-二氟二氧杂环己烷化合物潜在地治疗或预防神经系统疾病和疾病，其中涉及A2A受体。本发明还涉及包含这些化合物的制药组合物以及使用这些制药组合物预防或治疗涉及A2A受体的这些疾病。
• 2,2-difluorodioxolo A2A receptor antagonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US11046714B2

  公开（公告）日：2021-06-29

  The present invention is directed to 2,2-difluorodioxolo compounds that are antagonists of A2A receptor. The present invention is also directed to uses of the 2,2-difluorodioxolo compounds described herein in the potential treatment or prevention of neurological disorders and diseases in which A2A receptor are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds and to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which A2A receptors are involved.

  本发明涉及作为 A2A 受体拮抗剂的 2,2-二氟二恶茂化合物。本发明还涉及本文所述 2,2-二氟二恶茂化合物在潜在治疗或预防涉及 A2A 受体的神经紊乱和疾病中的用途。本发明还涉及包含这些化合物的药物组合物，以及这些药物组合物在预防或治疗涉及 A2A 受体的此类疾病中的用途。
• INHIBITORS OF APOL1 AND METHODS OF USING SAME
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20220106327A1

  公开（公告）日：2022-04-07

  The disclosure provides at least one entity chosen from compounds of Formula I, a tautomer thereof, a deuterated derivative of that compound or tautomer, and a pharmaceutically acceptable salt of any of the foregoing, compositions comprising the same, and methods of using the same, including uses in treating APOL1-mediated diseases, including pancreatic cancer, focal segmental glomerulosclerosis (FSGS), and/or non-diabetic kidney disease (NDKD).