1,7-diisothiocyanatoheptane | 223394-93-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 英文名称: 1,7-diisothiocyanatoheptane
• 英文别名: 1,7-Diisothiocyanatoheptane
• CAS: 223394-93-2
• 化学式: C₉H₁₄N₂S₂
• 分子量: 214.356
• InChiKey: UKPBPYXUKRABHU-UHFFFAOYSA-N

物化性质

• 沸点：
  182-184 °C(Press: 3.5 Torr)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  88.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,7-diisothiocyanatoheptane 、 二甘醇胺 以 1,4-二氧六环 为溶剂， 以42%的产率得到1-[2-(2-Hydroxy-ethoxy)-ethyl]-3-(7-{3-[2-(2-hydroxy-ethoxy)-ethyl]-thioureido}-heptyl)-thiourea
  参考文献：
  名称：

  2-氨基-2-脱氧-d-葡萄糖和相关氨基醇作为N-乙酰基-β-d-己糖胺酶抑制剂的脲基和硫脲基衍生物的合成及生物学评价

  摘要：

  制备2-乙酰氨基-2-脱氧-β-D-葡萄糖，1-氨基-1-脱氧-D-葡萄糖醇和2-（2-氨基乙氧基）乙醇的脲基和硫脲基衍生物，作为N-乙酰基-β-D-。己糖胺酶（NAHase）抑制剂，并在阴道毛滴虫NAHase上进行了评估。尽管没有一种酶在100 microM时显示出对酶的完全抑制作用，但是1-amino-1-deoxy-D-D-葡萄糖醇衍生物却充当了阴道链球菌NAHase的竞争性抑制剂。

  DOI：

  10.1016/s0008-6215(98)00286-9
• 作为产物：
  描述：

  1,7-二氨基庚烷 在 盐酸 、 sodium hydroxide 作用下， 以 氯仿 为溶剂， 反应 4.25h， 生成 1,7-diisothiocyanatoheptane
  参考文献：
  名称：

  2-氨基-2-脱氧-d-葡萄糖和相关氨基醇作为N-乙酰基-β-d-己糖胺酶抑制剂的脲基和硫脲基衍生物的合成及生物学评价

  摘要：

  制备2-乙酰氨基-2-脱氧-β-D-葡萄糖，1-氨基-1-脱氧-D-葡萄糖醇和2-（2-氨基乙氧基）乙醇的脲基和硫脲基衍生物，作为N-乙酰基-β-D-。己糖胺酶（NAHase）抑制剂，并在阴道毛滴虫NAHase上进行了评估。尽管没有一种酶在100 microM时显示出对酶的完全抑制作用，但是1-amino-1-deoxy-D-D-葡萄糖醇衍生物却充当了阴道链球菌NAHase的竞争性抑制剂。

  DOI：

  10.1016/s0008-6215(98)00286-9

文献信息

• ALIPHATIC POLYESTER COPOLYMER AND PROCESS FOR PRODUCING THE SAME, BIODEGRADABLE RESIN MOLDING BASED ON ALIPHATIC POLYESTER, AND LACTONE-CONTAINING RESIN
  申请人：DAICEL CHEMICAL INDUSTRIES, Ltd.

  公开号：EP1354908A1

  公开（公告）日：2003-10-22

  A high molecular weight aliphatic polyester copolymer, a high molecular weight aliphatic polyester copolymer containing polylactic acid; process for industrially producing these copolymers; composition of these copolymers; and various uses thereof. These copolymers have practical properties which make the copolymers moldable. They are free from the problem of plasticizer bleeding and can be degraded by microorganisms present in soils or water. They give moldings, such as sheets and films, which combine a sufficient strength with tear resistance. When the copolymers are ones having a branched structure, they give a molding having excellent mechanical properties. The moldings obtained from compositions containing either of these copolymers are excellent in elongation and biodegradability and have a satisfactory balanc therebetween. In particular, blending with one or more other biodegradable resins gives a molding having better moldability.

  一种高分子量脂肪族聚酯共聚物，一种含有聚乳酸的高分子量脂肪族聚酯共聚物；工业化生产这些共聚物的工艺；这些共聚物的成分；及其各种用途。这些共聚物具有实用的特性，使共聚物可以成型。它们没有增塑剂渗出的问题，可被土壤或水中的微生物降解。这些共聚物可制成具有足够强度和抗撕裂性的成型品，如板材和薄膜。当共聚物是具有支链结构的共聚物时，它们可制成具有优异机械性能的模塑物。由含有这些共聚物中任何一种共聚物的组合物制成的模塑物在伸长率和生物降解性方面都非常出色，并在两者之间取得了令人满意的平衡。特别是与一种或多种其他生物可降解树脂混合后，模塑物具有更好的成型性。
• Influence of linker length in shape recognition of B∗ DNA by dimeric aminoglycosides
  作者：Sunil Kumar、Meredith Newby Spano、Dev P. Arya

  DOI：10.1016/j.bmc.2015.04.082

  日期：2015.7

  DNA-protein recognition has shown us the importance of DNA shapes in the recognition process. Specific high-affinity targeting of DNA shapes by small molecules is desirable for many biological applications that involve regulation of DNA based processes. Here, the effect of linker length and rigidity on the affinity of a conjugated neomycin dimer for a specific DNA shape (B* form) AT-rich DNA was explored. Binding constants approximating 10(8) M (1) for optimal linker lengths of 18-19 atoms are reported herein. (C) 2015 Elsevier Ltd. All rights reserved.
• Aliphatic polyester copolymer and process for producing the same, biodegradable resin molding based on aliphatic polyester, and lactone-containing resin
  申请人：——

  公开号：US20040068059A1

  公开（公告）日：2004-04-08

  A high molecular weight aliphatic polyester copolymer, a high molecular weight aliphatic polyester copolymer containing polylactic acid; process for industrially producing these copolymers; composition of these copolymers; and various uses thereof. These copolymers have practical properties which make the copolymers moldable. They are free from the problem of plasticizer bleeding and can be degraded by microorganisms present in soils or water. They give moldings, such as sheets and films, which combine a sufficient strength with tear resistance. When the copolymers are ones having a branched structure, they give a molding having excellent mechanical properties. The moldings obtained from compositions containing either of these copolymers are excellent in elongation and biodegradability and have a satisfactory balanc therebetween. In particular, blending with one or more other biodegradable resins gives a molding having better moldability.
• Synthesis and biological evaluation of ureido and thioureido derivatives of 2-amino-2-deoxy-d-glucose and related aminoalcohols as N-acetyl-β-d-hexosaminidase inhibitors
  作者：Cécile Tournaire-Arellano、Salomé Younes-El Hage、Patricia Valès、Raymond Caujolle、Albertine Sanon、Christian Bories、Philippe M Loiseau

  DOI：10.1016/s0008-6215(98)00286-9

  日期：1998.12

  Ureido and thioureido derivatives of 2-acetamido-2-deoxy-beta-D-glucose, 1-amino-1-deoxy-D-glucitol and 2-(2-aminoethoxy)ethanol were prepared as N-acetyl-beta-D-hexosaminidase (NAHase) inhibitors and were evaluated on Trichomonas vaginalis NAHase. Although none showed complete inhibition of the enzyme at 100 microM, 1-amino-1-deoxy-D-glucitol derivatives acted as competitive inhibitors of the NAHase

  制备2-乙酰氨基-2-脱氧-β-D-葡萄糖，1-氨基-1-脱氧-D-葡萄糖醇和2-（2-氨基乙氧基）乙醇的脲基和硫脲基衍生物，作为N-乙酰基-β-D-。己糖胺酶（NAHase）抑制剂，并在阴道毛滴虫NAHase上进行了评估。尽管没有一种酶在100 microM时显示出对酶的完全抑制作用，但是1-amino-1-deoxy-D-D-葡萄糖醇衍生物却充当了阴道链球菌NAHase的竞争性抑制剂。