N2-benzyl thiosemicarbazide | 7449-43-6

• 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: N2-benzyl thiosemicarbazide
• 英文别名: 1-benzyl-thiosemicarbazide；1-Benzyl-thiosemicarbazid；N¹-Benzyl-thiosemicarbazid；(Benzylamino)thiourea
• CAS: 7449-43-6
• 化学式: C₈H₁₁N₃S
• 分子量: 181.261
• InChiKey: FMKMPJXDAVADRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  82.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N2-benzyl thiosemicarbazide 在 盐酸 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 2-Imino-3-methyl-4-benzyl-5-phenyl-1,3,4-thiodiazolidin
  参考文献：
  名称：

  Bulka,E. et al., Chemische Berichte, 1963, vol. 96, p. 2199 - 2205

  摘要：

  DOI：
• 作为产物：
  描述：

  Dithiokohlensaeure-S-methylester- 在 氨 作用下， 生成 N2-benzyl thiosemicarbazide
  参考文献：
  名称：

  DE839349

  摘要：

  公开号：

文献信息

• Reactivity of 2-substituted hydrazinecarbothioamides towards tetracyanoethylene and convenient synthesis of (5-amino-2-diazenylthiazolylmethylene)malononitrile derivatives
  作者：Alaa A. Hassan、Nasr K. Mohamed、Kamal M. A. El-Shaieb、Hendawy N. Tawfeek、Stefan Bräse、Martin Nieger

  DOI：10.24820/ark.5550190.p009.872

  日期：——

  Alaa A. Hassan,* Nasr K. Mohamed, Kamal M. A. El-Shaieb, Hendawy N. Tawfeek, Stefan Bräse, and Martin Nieger c a Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt b Institute of Organic Chemistry, Karlsruhe Institute of Technology, Fritz-Haber-Weg 6, 76131 Karlsruhe, Germany c Laboratory of Inorganic Chemistry, Department of Chemistry, University of Helsinki P.O. Box

  Alaa A. Hassan、* Nasr K. Mohamed、Kamal MA El-Shaieb、Hendawy N. Tawfeek、Stefan Bräse 和 Martin Nieger ca 化学系，米尼亚大学理学院，61519 El-Minia，埃及 b 有机化学研究所, 卡尔斯鲁厄理工学院, Fritz-Haber-Weg 6, 76131 Karlsruhe, Germany c Laboratory of Inorganic Chemistry, Department, Helsinki, University of Helsinki PO Box 55 (AI Virtasen aukio 1), 00014 Helsinki, Finland 电子邮件：alaahassan2001@ mu.edu.eg
• Reverse-turn mimetics and method relating thereto
  申请人：Moon Hwan Sung

  公开号：US20060084655A1

  公开（公告）日：2006-04-20

  Conformationally constrained compounds that mimic the secondary structure of reverse-turn regions of biologically active peptides and proteins are disclosed. Such reverse-turn mimetic structures have utility over a wide range of fields, including use as diagnostic and therapeutic agents. Libraries containing the reverse-turn mimetic structures of this invention are also disclosed as well as methods for screening the same to identify biologically active members. The invention also relates to the use of such compounds for inhibiting or treating disorders modulated by Wnt-signaling pathway, such as cancer, especially colorectal cancer, restenosis associated with angioplasty, polycystic kidney disease, aberrant angiogenesis disease, rheumatoid arthritis disease, tuberous sclerosis complex, Alzheimer's disease, excess hair growth or loss, or ulcerative colitis.

  本发明揭示了限制构象的化合物，其模拟具有生物活性的肽和蛋白质的反转区域的二级结构。这种反转模拟结构在广泛的领域中具有实用性，包括用作诊断和治疗剂。本发明还揭示了包含此类反转模拟结构的库，以及筛选这些库以识别具有生物活性成员的方法。本发明还涉及使用这种化合物来抑制或治疗Wnt信号通路调节的疾病，如癌症，特别是结直肠癌，与血管成形术相关的再狭窄，多囊肾病，异常血管生成疾病，类风湿性关节炎疾病，结节性硬化症，阿尔茨海默病，过多或过少的毛发生长或溃疡性结肠炎。
• Prostaglandins
  申请人：NATIONAL RESEARCH DEVELOPMENT CORPORATION

  公开号：EP0043292A2

  公开（公告）日：1982-01-06

  Novel compounds have a formula (I) wherein represents a bicyclo (2,2,1) hept-2Z-ene, bicyclo (2,2,1) heptane, 7-oxabicyclo (2,2,1) hept-2Z-ene, 7-oxabicyclo (2,2,1) heptane, bicyclo (2,2,2) oct-2Z-ene or bicyclo (2,2,2) octane substituted at the 5-position by the group R1 and at the 6-position by the group C(R2)=NR, a 6,6-dimethyl-bicyclo (3,1,1) heptane substituted at the 5- position by the group R' and at the 6-position by the group C(R2)=NR or at the 5-position by the group C(R2)=NR and at the 6-position by the group R1, a cyclohex-1-ene or cyclohexane substituted at the 4-position by the group R1 and at the 5-position by the group C(R2)=NR, or a 1-hydroxycyclopentane substituted at the 2-position by the group R1 and at the 2-position by the group C(R2)=NR, R1 is a 6-carboxyhex-2-enyl group or a modification thereof as defined herein, R2 is hydrogen, an aliphatic hydrocarbon group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, and R is a group -OR3, -OR4, -A-R3 or -N=R5 in which A is -NH-, -NH.CO-, -NH.CO.CH2N(R6)-, -NH.SO2-, -NH.CO.NH or -NH.CS.NH- and wherein R3 is an aliphatic hydrocarbon group, an aromatic group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, R4 is an aliphatic hydrocarbon group which is substituted through an oxygen atom by an aliphatic hydrocarbon group which is itself substituted by an aromatic group, R5 is an aliphatic hydrocarbon group, an aromatic group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, and R6 is hydrogen, an aliphatic hydrocarbon group, an aromatic group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, with the proviso that when R is a group -OR3, -NH.COR3 or-NH.CO.NHR3 then excludes bicyclo (2,2,1) hept-2Z-enes and bicyclo (2,2,1) heptanes. The compounds are of value for use in phar. maceutical compositions particularly in the context of the inhibition of thromboxane activity.

  新型化合物具有式 (I) 其中 代表在 5 位被基团 R1 取代、在 6 位被基团 C(R2)=NR 取代的双环(2,2,1)庚-2Z-烯、双环(2,2,1)庚烷、7-氧杂双环(2,2,1)庚烷、双环(2,2,2)辛-2Z-烯或双环(2,2,2)辛烷、在 5 位被基团 R'取代、在 6 位被基团 C(R2)=NR 取代的 6,6-二甲基双环(3,1,1)庚烷，或在 5 位被基团 C(R2)=NR 取代、在 6 位被基团 R1 取代的 6,6-二甲基双环(3,1,1)庚烷、在 4 位被基团 R1 取代且在 5 位被基团 C(R2)=NR 取代的环己-1-烯或环己烷，或在 2 位被基团 R1 取代且在 2 位被基团 C(R2)=NR 取代的 1-羟基环戊烷、R1 是本文定义的 6-羧基己-2-烯基或其改性物，R2 是氢、脂肪族烃基或直接或通过氧原子或硫原子被芳香族基取代的脂肪族烃基，R 是基团-OR3、-OR4、-A-R3 或-N=R5，其中 A 是-NH-、-NH.CO-、-NH.CO.CH2N(R6)-、-NH.SO2-、-NH.CO.NH 或 -NH.CS.其中 R3 是直接或通过氧原子或硫原子被芳香基团取代的脂肪烃基团、芳香基团或脂肪烃基团，R4 是通过氧原子被本身被芳香基团取代的脂肪烃基团，R5 是脂肪烃基团、R6是氢、脂肪族烃基、芳香族基团或直接或通过氧原子或硫原子被芳香族基团取代的脂肪族烃基，但当R是-OR3、-NH.COR3或-NH.CO.NHR3，则 不包括双环(2,2,1)庚-2Z-烯和双环(2,2,1)庚烷。这些化合物在医药组合物中具有使用价值，特别是在抑制血栓素活性方面。
• Prostaglandin intermediates
  申请人：NATIONAL RESEARCH DEVELOPMENT CORPORATION

  公开号：EP0111955A1

  公开（公告）日：1984-06-27

  Novel compounds have a formula (I) wherein represents a bicyclo [2,2,1] hept-2Z-ene, bicyclo [2,2,1] heptane, 7-oxabicyclo [2,2,1] hept-2Z-ene, 7-oxabicyclo [2,2,1] heptane, bicyclo [2,2,2] oct-2Z-ene or bicyclo [2,2,2] octane substituted at the 5-position by the group R' and at the 6-position by the group C(R2)=NR, a 6,6-dimethyl-bicyclo [3,1,1] heptane substituted at the 5-position by the group R' and at the 6-position by the group C(R2)=NR or at the 5-position by the group C(R2)=NR and at the 6-position by the group R', a cyclohex-1-ene or cyclohexane substituted at the 4-position by the group R1 and at the 5-position by the group C(R2)=NR, or a 1-hydroxycyclopentane substituted at the 2-position by the group R1 and at the 2-position by the group C(R2)=NR, R1 is a 6-carboxyhex-2-enyl group or a modification thereof as defined herein, R2 is hydrogen, an aliphatic hydrocarbon group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, and R is a group -OR3, -OR4, -A-R3 or -N=R5 in which A is -NH-, -CH.CO-, -NH.CO.CH2N(R6)-, -NH.S02-, -NH.CO.NH or -NH.CS.NH-and wherein R3 is an aliphatic hydrocarbon group, an aromatic group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, R4 is an aliphatic hydrocarbon group which is substituted through an oxygen atom by an aliphatic hydrocarbon group which is itself substituted by an aromatic group, R5 is an aliphatic hydrocarbon group, an aromatic group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, and R6 is hydrogen, an aliphatic hydrocarbon group, an aromatic group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, with the proviso that when R is a group -OR3, - NH.COR3 or -NH.CO.NHR3 then excludes bicyclo [2,2,1] hept-2Z-enes and bicyclo [2,2,1] heptanes. The compounds are of value for use in pharmaceutical compositions particularly in the context of the inhibition of thromboxane activity.

  新型化合物具有式 (I) 其中 代表在 5 位被基团 R'取代、在 6 位被基团 C(R2)=NR.取代的双环[2,2,1]庚-2Z-烯、双环[2,2,1]庚烷、7-氧杂双环[2,2,1]庚烷、双环[2,2,2]辛-2Z-烯或双环[2,2,2]辛烷、在 5 位被基团 R'取代、在 6 位被基团 C(R2)=NR 取代的 6,6-二甲基双环[3,1,1]庚烷，或在 5 位被基团 C(R2)=NR 取代、在 6 位被基团 R'取代的 6,6-二甲基双环[3,1,1]庚烷、在 4 位被基团 R1 取代、在 5 位被基团 C(R2)=NR 取代的环己-1-烯或环己烷，或在 2 位被基团 R1 取代、在 2 位被基团 C(R2)=NR 取代的 1-羟基环戊烷、R1 是本文定义的 6-羧基己-2-烯基或其改性物，R2 是氢、脂肪族烃基或直接或通过氧原子或硫原子被芳香族基取代的脂肪族烃基，R 是基团-OR3、-OR4、-A-R3 或-N=R5，其中 A 是-NH-、-CH.CO-、-NH.CO.CH2N(R6)-、-NH.S02-、-NH.CO.NH 或 -NH.CS.其中 R3 是脂肪族烃基、芳香族基团或直接或通过氧原子或硫原子被芳香族基团取代的脂肪族烃基；R4 是通过氧原子被脂肪族烃基取代的脂肪族烃基，该脂肪族烃基本身被芳香族基团取代；R5 是脂肪族烃基、R6是氢、脂肪族烃基、芳香族基团或直接或通过氧原子或硫原子被芳香族基团取代的脂肪族烃基，但当R是-OR3、-NH.COR3或-NH.CO.NHR3，则 不包括双环[2,2,1]庚-2Z-烯和双环[2,2,1]庚烷。这些化合物具有药物组合物的使用价值，特别是在抑制血栓素活性方面。
• Non-toxic corrosion-protection pigments based on manganese
  申请人：——

  公开号：US20040011252A1

  公开（公告）日：2004-01-22

  Corrosion-inhibiting pigments based on manganese are described that contain a trivalent or tetravalent manganese/valence stabilizer complex. An inorganic or organic material is used to stabilize the trivalent or tetravalent manganese ion to form a compound that is sparingly soluble, exhibits low solubility, or is insoluble in water, depending upon the intended usage. Specific stabilizers are chosen to control the release rate of trivalent or tetravalent manganese during exposure to water and to tailor the compatibility of the powder when used as a pigment in a chosen binder system. Stabilizers may also modify the processing and handling characteristics of the formed powders. Manganese/valence stabilizer combinations are chosen based on the well-founded principles of manganese coordination chemistry. Many manganese-valence stabilizer combinations are presented that can equal the performance of conventional hexavalent chromium or tetravalent lead systems. It is emphasized that this abstract is provided to comply with the rules requiring an abstract which will allow a searcher or other reader to quickly ascertain the subject matter of the technical disclosure. It is submitted with the understanding that it will not be used to interpret or limit the scope or meaning of the claims.

  以锰为基础的缓蚀颜料含有三价或四价锰/价稳定剂复合物。一种无机或有机材料可用于稳定三价或四价锰离子，从而形成一种可少量溶解、溶解度低或不溶于水的化合物，具体取决于预期用途。选择特定的稳定剂是为了控制三价锰或四价锰在遇水时的释放率，并调整粉末在所选粘合剂体系中用作颜料时的相容性。稳定剂还可以改变成型粉末的加工和处理特性。锰/价稳定剂组合的选择是基于锰配位化学的基本原理。文中介绍了许多锰价稳定剂组合，其性能与传统的六价铬或四价铅体系相当。需要强调的是，提供本摘要是为了符合要求提供摘要的规则，以便检索者或其他读者快速确定技术公开的主题。提交本摘要的前提是，本摘要不用于解释或限制权利要求的范围或含义。