(+/-)-2-<(benzyloxycarbonyl)amino>-3-butenoic acid | 89170-32-1

• 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: (+/-)-2-<(benzyloxycarbonyl)amino>-3-butenoic acid
• 英文别名: N-Carbobenzoxy-2-amino-buten-(3)-saeure-(1)；2-{[(Benzyloxy)carbonyl]amino}but-3-enoic acid；2-(phenylmethoxycarbonylamino)but-3-enoic acid
• CAS: 89170-32-1
• 化学式: C₁₂H₁₃NO₄
• 分子量: 235.24
• InChiKey: AOCBYYBUYCPZGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  (+/-)-2-<(benzyloxycarbonyl)amino>-3-butenoic acid 、 N-羟基丁二酰亚胺 生成 (2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)but-3-enoate
  参考文献：
  名称：

  MILLER, MARVIN J.

  摘要：

  DOI：
• 作为产物：
  描述：

  N-<(benzoyloxy)carbonyl>-D,L-vinylglycine methyl ester 生成 (+/-)-2-<(benzyloxycarbonyl)amino>-3-butenoic acid
  参考文献：
  名称：

  MILLER, MARVIN J.

  摘要：

  DOI：

文献信息

• [EN] RIP1K INHIBITORS<br/>[FR] INHIBITEURS DE RIP1K
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2021203011A1

  公开（公告）日：2021-10-07

  Disclosed herein are kinase inhibitory compounds, such as a receptor-interacting protein-1 (RIP1) kinase inhibitor compounds, as well as pharmaceutical compositions and combinations comprising such inhibitory compounds. The disclosed compounds, pharmaceutical compositions, and/or combinations may be used to treat or prevent a kinase-associated disease or condition, particularly a RIP1-associated disease or condition.

  披露的是激酶抑制化合物，例如受体相互作用蛋白-1（RIP1）激酶抑制化合物，以及包含此类抑制化合物的药物组合物和组合。所披露的化合物、药物组合物和/或组合可用于治疗或预防与激酶相关的疾病或状况，尤其是与RIP1相关的疾病或状况。
• The Heck Reaction of N-Protected Vinylglycines with 4-Iodoanisole.
  作者：Taisuke ITAYA、Shigeyuki SHIMIZU

  DOI：10.1248/cpb.43.398

  日期：——

  Among N-protected and unprotected vinylglycines tested, N-(benzyloxycarbonyl)vinylglycine (1c) provided the highest yield of the coupling product 3c in the reaction with 1-iodo-4-methoxybenzene (2) in N, N-dimethylformamide in the presence of palladium acetate, sodium bicarbonate, and tetrabutylammonium chloride, whereas none of the desired product was obtained in the reaction with 4-methoxyphenyl trifluoromethanesulfonate (7). The stereoselectivity of the reaction was reversed by employing triethylamine instead of sodium bicarbonate to furnish (Z)-3c predominantly. In the presene of sodium bicarbonate, replacement of the solvent by water improved not only the chemical yield and stereoselectivity but also the optical purity : geometrically pure (E)-3c of 96% ee was formed in a good yield.

  在测试过的 N 保护和非保护乙烯基甘氨酸中，N-(苄氧羰基)乙烯基甘氨酸 (1c) 在 N. N-二甲基甲酰胺中与 1-碘-4-甲氧基苯 (2) 反应时，偶联产物 3c 的产率最高、乙酸钯、碳酸氢钠和四丁基氯化铵存在下与 1-碘-4-甲氧基苯（2）在 N,N-二甲基甲酰胺中的反应中，偶联产物 3c 的产率最高，而与三氟甲磺酸 4-甲氧基苯（7）的反应中则没有得到所需的产物。用三乙胺代替碳酸氢钠可以逆转反应的立体选择性，主要生成 (Z)-3c。在使用碳酸氢钠的情况下，用水代替溶剂不仅提高了化学收率和立体选择性，还提高了光学纯度：以良好的收率生成了几何纯度为 96% ee 的 (E)-3c。
• INHIBITORS OF APOL1 AND METHODS OF USING SAME
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP3897833A1

  公开（公告）日：2021-10-27
• RIP1K INHIBITORS
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US20210317135A1

  公开（公告）日：2021-10-14

  Disclosed herein are kinase inhibitory compounds, such as a receptor-interacting protein-1 (RIP1) kinase inhibitor compounds, as well as pharmaceutical compositions and combinations comprising such inhibitory compounds. The disclosed compounds, pharmaceutical compositions, and/or combinations may be used to treat or prevent a kinase-associated disease or condition, particularly a RIP1-associated disease or condition.
• [EN] INHIBITORS OF APOL1 AND METHODS OF USING SAME<br/>[FR] INHIBITEURS D'APOL1 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：VERTEX PHARMA

  公开号：WO2020131807A1

  公开（公告）日：2020-06-25

  The disclosure provides at least one entity chosen from compounds of formula (I), solid state forms of the same, compositions comprising the same, and methods of using the same, including use in treating focal segmental glomerulosclerosis (FSGS) and/or non-diabetic kidney disease (NDKD).