1-(2-Isothiocyanato-ethyl)-pyrrolidine | 165680-22-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(2-Isothiocyanato-ethyl)-pyrrolidine
• 英文别名: 1-(2-Isothiocyanatoethyl)pyrrolidine
• CAS: 165680-22-8
• 化学式: C₇H₁₂N₂S
• 分子量: 156.252
• InChiKey: MLCHXPGOSMFFOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  47.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-Isothiocyanato-ethyl)-pyrrolidine 在 肼 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以82%的产率得到1-Amino-3-(2-pyrrolidin-1-ylethyl)thiourea
  参考文献：
  名称：

  Synthesis of new alkylaminoalkyl thiosemicarbazones of 3-acetylindole and their effect on DNA synthesis and cell proliferation

  摘要：

  The preparation of a number of thiosemicarbazones of 3-acetylindole is described. These compounds were evaluated in vitro for their effect on proliferation and cell-division delays in cultured human peripheral blood lymphocytes, and their effect on DNA synthesis in T-cell leukemia Molt-4 cells.

  DOI：

  10.1016/0223-5234(96)88215-8
• 作为产物：
  描述：

  1-(2-氨乙基)吡咯烷 、 二硫化碳 在 氯甲酸乙酯 、 三乙胺 作用下， 生成 1-(2-Isothiocyanato-ethyl)-pyrrolidine
  参考文献：
  名称：

  Synthesis of new alkylaminoalkyl thiosemicarbazones of 3-acetylindole and their effect on DNA synthesis and cell proliferation

  摘要：

  The preparation of a number of thiosemicarbazones of 3-acetylindole is described. These compounds were evaluated in vitro for their effect on proliferation and cell-division delays in cultured human peripheral blood lymphocytes, and their effect on DNA synthesis in T-cell leukemia Molt-4 cells.

  DOI：

  10.1016/0223-5234(96)88215-8

文献信息

• BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20160333009A1

  公开（公告）日：2016-11-17

  The present disclosure provides indoleamine 2,3-dioxygenase 1 (IDOL) inhibitors of Formula I: or pharmaceutically acceptable salts thereof, in which X, L, n, m, R 1 , R 2a , R 2b , R n , R m , and R t are as defined herein, as well as pharmaceutical compositions that include a compound of Formula I, or pharmaceutically acceptable salts thereof, and methods of using the same to treat conditions mediated by IDO1.

  本公开提供了式I的吲哌酮2,3-二氧化酶1（IDOL）抑制剂： 或其药学上可接受的盐，其中X、L、n、m、R 1 、R 2a 、R 2b 、R n 、R m 和R t 如本文所定义，以及包括式I化合物的药物组合物，或其药学上可接受的盐，并使用这些方法来治疗由IDO1介导的疾病。
• [EN] N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION<br/>[FR] DÉRIVÉS DE SECONDE GÉNÉRATION N-SUBSTITUÉS DE L'AMPHOTÉRICINE B ANTIBIOTIQUE ANTIFONGIQUE ET LEURS PROCÉDÉS DE PRÉPARATION ET D'UTILISATION
  申请人：BLIRT S A

  公开号：WO2013186384A1

  公开（公告）日：2013-12-19

  The invention provides semisynthetic N-substituted derivatives of the antifungal antibiotic Amphotericin B and water soluble salts and complexes, pharmaceutical compositions and plant and building treatment products comprising the derivatives and their use as antifungal antibiotics.

  这项发明提供了抗真菌抗生素Amphotericin B的半合成N-取代衍生物以及水溶性盐和络合物，包括这些衍生物的药物组合物、植物和建筑处理产品，以及它们作为抗真菌抗生素的用途。
• Novel physiologically active substances
  申请人：Kotake Yoshihiko

  公开号：US20050245514A1

  公开（公告）日：2005-11-03

  Compounds represented by the following general formula (I), pharmacologically acceptable salts thereof or hydrates of the same: (I) wherein W represents and R 3 , R 7 , R 16 , R 17 , R 20 , R 21 and R 21′ are the same or different and each represents hydrogen, etc. Because of inhibiting angiogenesis and inhibiting the production of VEGF particularly in hypoxia, the compounds (I) are useful as remedies for solid cancer.

  具有下述通式(I)表示的化合物、其药理学上可接受的盐或水合物：(I)其中W代表，R3、R7、R16、R17、R20、R21及R21'相同或不同，各自代表氢等。由于能抑制血管生成及在缺氧条件下抑制VEGF的产生，化合物(I)可作为实体癌症的治疗药物。
• 12 MEMBERED-RING MACROLACTAM DERIVATIVES
  申请人：Miyano Masayuki

  公开号：US20080312317A1

  公开（公告）日：2008-12-18

  There provided a 12-membered-ring macrolactam derivative having antitumor activity: A compound represented by Formula (1) or a salt thereof. In this Formula, R 1 is a hydrogen atom, a C 1-6 alkyl group, a C 1-6 alkylcarbonyl group or a C 6-14 arylcarbonyl group; R 2 is a hydrogen atom or a C 1-6 alkyl group; R 3 is a hydrogen atom or a hydroxyl group; R 4 is a hydrogen atom or a hydroxyl group; R 5 is a hydrogen atom or a C 1-6 alkyl group; R 6 is a hydrogen atom or a hydroxyl group; and R 7 is an acetyl group or the like.

  提供了一种具有抗肿瘤活性的12-成员环大环内酰胺衍生物：由化学式（1）表示的化合物或其盐。在该化学式中，R1是氢原子、C1-6烷基基团、C1-6烷基羰基基团或C6-14芳基羰基基团；R2是氢原子或C1-6烷基基团；R3是氢原子或羟基；R4是氢原子或羟基；R5是氢原子或C1-6烷基基团；R6是氢原子或羟基；R7是乙酰基或类似物。
• Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine–(Thio)urea Hybrid Molecules Generated via Click Chemistry
  作者：Pilar Elías-Rodríguez、Valeria Pingitore、Ana T. Carmona、Antonio J. Moreno-Vargas、Daisuke Ide、Shota Miyawaki、Atsushi Kato、Eleuterio Álvarez、Inmaculada Robina

  DOI：10.1021/acs.joc.8b01073

  日期：2018.8.17

  The parallel synthesis of a 26-membered-library of aromatic/aliphatic-(thio)urea-linked pyrrolizidines followed by in situ biological evaluation toward α-galactosidases has been carried out. The combination of the (thio)urea-forming click reaction and the in situ screening is pioneer in the search for glycosidase inhibitors and has allowed the discovery of a potent coffee bean α-galactosidase inhibitor

  已经进行了芳族/脂族-（硫代）脲连接的吡咯并核苷的26元文库的平行合成，然后对α-半乳糖苷酶进行了原位生物学评估。（硫代）脲形成点击反应和原位筛选的结合是糖苷酶抑制剂研究的先驱，并发现了有效的咖啡豆α-半乳糖苷酶抑制剂（IC 50 = 0.37μM，K i = 0.12 μM）也显示出对人溶酶体α-半乳糖苷酶的抑制作用（α-GalA，IC 50 = 5.3μM，K i = 4.2μM）。