<1,1'-bipyrrolidine>-2,2'-dione | 60769-64-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: <1,1'-bipyrrolidine>-2,2'-dione
• 英文别名: 1,1'-bi(2-ketopyrrolidine)；tetrahydro-[1,1']bipyrrolyl-2,2'-dione；Tetrahydro-[1,1']bipyrrolyl-2,2'-dion；1-(Pyrrolidin-2-on-1-yl)-pyrrolidin-2-on；1-(Pyrrolidin-2-on-1-yl)pyrrolidin-2-on；1-(2-Oxopyrrolidin-1-yl)pyrrolidin-2-one
• CAS: 60769-64-4
• 化学式: C₈H₁₂N₂O₂
• 分子量: 168.195
• InChiKey: BCUINZALKDPXQQ-UHFFFAOYSA-N

物化性质

• 熔点：
  125-126 °C(Solv: carbon tetrachloride (56-23-5))
• 沸点：
  269.0±23.0 °C(Predicted)
• 密度：
  1.332±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  <1,1'-bipyrrolidine>-2,2'-dione 在 四氢呋喃 、 lithium aluminium tetrahydride 作用下， 生成 octahydro-[1,1']bipyrrolyl
  参考文献：
  名称：

  Stetter; Spangenberger, Chemische Berichte, 1958, vol. 91, p. 1982,1987

  摘要：

  DOI：
• 作为产物：
  描述：

  4-硝基丁酸甲酯 生成 <1,1'-bipyrrolidine>-2,2'-dione
  参考文献：
  名称：

  BELLASIO E.; CAVALLERI B.; LA NOCE T.; TESTA E., FARMACO ED. SCI. , 1976, 31, NO 7, 471-477

  摘要：

  DOI：

文献信息

• BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS
  申请人：QUADRIGA BIOSCIENCES, INC.

  公开号：US20150218085A1

  公开（公告）日：2015-08-06

  β-Substituted γ-amino acids, β-substituted γ-amino acid derivatives, and β-substituted γ-amino acid analogs and (bio)isosteres and their use as chemotherapeutic agents are disclosed. The β-substituted γ-amino acid derivatives and β-substituted γ-amino acid analogs and (bio)isosteres are selective LAT1/4F2hc substrates, capable of passing through the blood-brain barrier, and exhibit rapid uptake and retention in tumors expressing the LAT1/4F2hc transporter. Methods of synthesizing the β-substituted γ-amino acid derivatives and β-substituted γ-amino acid analogs and (bio)isosteres and methods of using the compounds for treating tumors are also disclosed. The β-substituted γ-amino acid derivatives and β-substituted γ-amino acid analogs and (bio)isosteres exhibit an improved selectivity toward tumor cells expressing the LAT1/4F2hc transporter and accumulate in cancerous cells when administered to a subject in vivo. The β-substituted γ-amino acid derivatives and β-substituted γ-amino acid analogs and (bio)isosteres exhibit an increased efficacy on a variety of tumor types.

  β-取代的γ-氨基酸，β-取代的γ-氨基酸衍生物，以及β-取代的γ-氨基酸类似物和（生物）同位素及其作为化疗药物的用途被披露。这些β-取代的γ-氨基酸衍生物和β-取代的γ-氨基酸类似物和（生物）同位素是选择性LAT1/4F2hc底物，能够穿过血脑屏障，并在表达LAT1/4F2hc转运蛋白的肿瘤中表现出快速摄取和保留。还披露了合成β-取代的γ-氨基酸衍生物和β-取代的γ-氨基酸类似物和（生物）同位素的方法以及使用这些化合物治疗肿瘤的方法。这些β-取代的γ-氨基酸衍生物和β-取代的γ-氨基酸类似物和（生物）同位素表现出对表达LAT1/4F2hc转运蛋白的肿瘤细胞的改进选择性，并在体内给予受试者时在癌细胞中积累。这些β-取代的γ-氨基酸衍生物和β-取代的γ-氨基酸类似物和（生物）同位素在多种肿瘤类型上表现出增加的疗效。
• PROCESS FOR THE PREPARATION OF REGORAFENIB AND ITS CRYSTALLINE FORMS
  申请人：SHILPA MEDICARE LIMITED

  公开号：US20170204062A1

  公开（公告）日：2017-07-20

  The present invention relates to a process for the preparation of 4-[4-([4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide or Regorafenib (I). The present invention further relates to a process for the purification of 4-[4-([4-chloro-3-(trifluoromethyl) phenyl] carbamoyl} amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide or Regorafenib (I) to provide highly pure material. The present invention further relates to a process for the preparation stable crystalline material of 4-[4-([4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methyl pyridine-2-carboxamide or Regorafenib (I) useful in the preparation of pharmaceutical compositions for the treatment of cancer.

  本发明涉及一种制备4-[4-([4-氯-3-(三氟甲基)苯基]氨基}-3-氟苯氧基)-N-甲基吡啶-2-羧酰胺或Regorafenib（I）的过程。本发明还涉及一种纯化4-[4-([4-氯-3-(三氟甲基)苯基]氨基}-3-氟苯氧基)-N-甲基吡啶-2-羧酰胺或Regorafenib（I）以提供高纯度物质的过程。本发明还涉及一种制备稳定晶体材料4-[4-([4-氯-3-(三氟甲基)苯基]氨基}-3-氟苯氧基)-N-甲基吡啶-2-羧酰胺或Regorafenib（I）的过程，该晶体材料可用于制备用于治疗癌症的药物组合物。
• CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS
  申请人：Watkins Clare J.

  公开号：US20100249197A1

  公开（公告）日：2010-09-30

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the formula (1) wherein: A is an aryl group; Q 1 is an aryl leader group having a backbone of at least 2 carbon atoms; J is an amide linkage selected from: —NR 1 C(═O)— and —C(═O)NR 1 —; R 1 is an amido substituent; and, Q 2 is an acid leader group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psorias

  本发明涉及某些活性碳酰胺酸化合物，其抑制HDAC活性，其具有式（1），其中：A是芳基基团；Q1是至少具有2个碳原子骨架的芳基前导基团；J是选择自以下的酰胺连接：—NR1C(═O)—和—C(═O)NR1—；R1是酰胺取代基；以及Q2是酸前导基团；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包括这种化合物的制药组合物，以及使用这种化合物和组合物，在体内外抑制HDAC，例如抑制增殖性疾病，如癌症和银屑病。
• The structure and conformation of [1,1′-bipyrrolidine]-2,2′-dithione
  作者：Joseph P. Michael、David G. Billing、Jan C.A. Boeyens、Laurence Carlton、Louis Denner、Ingrid A. Hindmarch

  DOI：10.1016/0022-2860(90)85030-m

  日期：1990.10

  Abstract The molecular structure of [1,1′-bipyrrolidine]-2,2′-dithione (1) has been determined by single-crystal X-ray crystallography. The compound crystallizes in the orthorhombic system: Pbca, a = 9.314(12), b = 13.213(2), c = 16.321(3) A, V = 2008.4 A3, Z = 8, Dc = 1.33 g cm−3, R = 0.042 for 2583 unique reflections and 140 variable parameters. The dihedral angle between the mean planes of the rings

  摘要 [1,1'-联吡咯烷]-2,2'-二硫酮 (1) 的分子结构已通过单晶 X 射线晶体学确定。该化合物在正交晶系中结晶：Pbca, a = 9.314(12), b = 13.213(2), c = 16.321(3) A, V = 2008.4 A3, Z = 8, Dc = 1.33 g cm−3, R = 0.042 对于 2583 个独特的反射和 140 个可变参数。环的平均平面之间的二面角为 104.2(7)°。环本身的构象以原始包络和扭曲形式的归一化线性组合的形式呈现。某些键距在核排斥的屏蔽方面被合理化。NN 键的有理势垒已经从氘代甲苯中的变温核磁共振 (NMR) 测量计算为 73 kJ mol-1。
• Aqueous ink composition and printing process by ink jet recording system using the composition
  申请人：Seiko Epson Corporation

  公开号：EP2368948A1

  公开（公告）日：2011-09-28

  The aqueous ink composition according to the invention comprises a water-insoluble coloring agent, a glycol ether having an HLB value calculated by a Davies' method in the range of 4.2 to 8.0, a 1,2-alkyldiol having 4 to 8 carbon atoms, resin particles, and water.

  根据本发明的水性油墨组合物包括一种水不溶性着色剂、一种乙二醇醚（其 HLB 值按戴维斯法计算在 4.2 至 8.0 之间）、一种具有 4 至 8 个碳原子的 1,2-烷基二醇、树脂颗粒和水。