4-methylthiosemicarbazide hydrochloride | 51255-94-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-methylthiosemicarbazide hydrochloride
• 英文别名: methylthiosemicarbazide hydrochloride；4-methyl-thiosemicarbazide; hydrochloride；1-amino-3-methylthiourea;hydrochloride
• CAS: 51255-94-8
• 化学式: C₂H₇N₃S*ClH
• 分子量: 141.625
• InChiKey: XENUREDDCYSTCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.62
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  82.2
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-methylthiosemicarbazide hydrochloride 、 苯基氰胺 反应 0.17h， 生成 1-(N-phenylamidino)4-methylthiosemicarbazide
  参考文献：
  名称：

  Joshua; Lissamma; Mathewkutty Joseph, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 4, p. 315 - 318

  摘要：

  DOI：
• 作为产物：
  描述：

  1-methyl-3-[(E)-[(7Z)-7-(methylcarbamothioylhydrazinylidene)octan-2-ylidene]amino]thiourea 、 盐酸 生成 4-methylthiosemicarbazide hydrochloride
  参考文献：
  名称：

  GANNON M.; MCELHINNEY R. S.; KESSEL D., PROC. ROY. IRISH ACAD., 1980, B80, NO 7-8, 107-116

  摘要：

  DOI：

文献信息

• 2-Alkoxy-5-amino- and -5-arenesulphonamido-1,3,4-thiadiazoles and related compounds
  作者：R. Clarkson、J. K. Landquist

  DOI：10.1039/j39670002700

  日期：——

  2-Alkoxy-5-amino-1,3,4-thiadiazoles are obtained by the action of cyanogen halides on alkoxythiocarbonylhydrazines, or by reaction of thiosemicarbazides with dialkoxymethylenimines. The latter process may also give 5-amino- or 5-alkoxy-1,2,4-triazole-3-thiols. Acylation of the aminothiadiazoles with arenesulphonyl chlorides gives 2-alkoxy-5-arenesulphonamido-1,3,4-thiadiazoles or 2-alkoxy-4-arenes

  2-烷氧基-5-氨基-1,3,4-噻二唑是通过卤化氰对烷氧基硫代羰基肼的作用或硫代氨基脲与二烷氧基甲基亚胺的反应制得的。后一种方法也可以得到5-氨基-或5-烷氧基-1,2,4-三唑-3-硫醇。将氨基噻二唑与芳磺酰氯酰化，得到2-烷氧基-5-芳烃磺酰胺基-1,3,4-噻二唑或2-烷氧基-4-芳烃磺酰基-5-芳烃磺酰氨基-4,5-二氢-1,3,4-噻二唑。
• 5-(3-alkyl-5-tert.butyl-4-hydroxyphenyl)-2-amino-6H-1,3,4-thiadiazines
  申请人：Hoechst Aktiengesellschaft

  公开号：US04940790A1

  公开（公告）日：1990-07-10

  Novel 5-(3-alkyl-5-tert.butyl-4-hydroxyphenyl)-2-amino-6H-1,3,4-thiadiazines of the general formula I ##STR1## in which R.sup.1 =C.sub.1 -C.sub.4 -alkyl, R.sup.2 =H or C.sub.1 -C.sub.3 -alkyl R.sup.3 and R.sup.4 =independently of one another, optionally substituted and optionally O- or S-interrupted alkyl, alkenyl or alkynyl groups, it being possible for one of the two radicals to also be H, or R.sup.3 +R.sup.4 together with the nitrogen atom to which they are bound, may denote an optionally substituted 4- to 7-membered ring which optionally contains a further heteroatom (O, S or N), and the physiologically acceptable acid-addition salts thereof. The compounds are primarily suitable for prevention and treatment of inflammatory--in particular inflammatory rheumatic--disorders and/or pain.

  通式I中的新型化合物为5-(3-烷基-5-叔丁基-4-羟基苯基)-2-氨基-6H-1,3,4-噻二嗪，其中R.sup.1 =C.sub.1 -C.sub.4-烷基，R.sup.2 =H或C.sub.1 -C.sub.3-烷基，R.sup.3和R.sup.4 =独立地，可选择性地取代和可选择地O-或S-中断的烷基，烯基或炔基基团，其中两个基团中的一个也可能是H，或者R.sup.3 + R.sup.4与它们结合的氮原子一起，可能表示一个可选择性取代的4-至7-环，该环可以选择性地包含进一步的杂原子（O，S或N），以及其生理上可接受的酸加成盐。这些化合物主要适用于预防和治疗炎症 - 特别是炎症性风湿性疾病和/或疼痛。
• Estradiol-Based Salicylaldehyde (Thio)Semicarbazones and Their Copper Complexes with Anticancer, Antibacterial and Antioxidant Activities
  作者：Tatsiana V. Petrasheuskaya、Ferenc Kovács、Nóra Igaz、Andrea Rónavári、Bálint Hajdu、Laura Bereczki、Nóra V. May、Gabriella Spengler、Béla Gyurcsik、Mónika Kiricsi、Éva Frank、Éva A. Enyedy

  DOI：10.3390/molecules28010054

  日期：——

  Cu(II)-estradiol-semicarbazone complex was revealed by X-ray crystallography. Proton dissociation constants of the ligands and stability constants of the metal complexes were determined in 30% (v/v) DMSO/H2O. Estradiol-(T)SCs form mono-ligand complexes with Cu(II) ions and exhibit high stability with the exception of estradiol-SC. The Cu(II) complexes of estradiol-TSC and its N,N-dimethyl derivative displayed the highest

  开发了一系列基于雌二醇的水杨醛（硫代）氨基脲（（T）SCs）轴承（O，N，S）和（O，N，O）供体组及其 Cu（II）配合物1H 和 1³C 核磁共振波谱、紫外-可见和电子顺磁共振波谱、电喷雾电离质谱和元素分析。X 射线晶体学揭示了 Cu(II)-雌二醇-氨基脲复合物的结构。配体的质子解离常数和金属络合物的稳定常数在 30% (v/v) DMSO/H2O 中测定。雌二醇-(T)SC 与 Cu(II) 离子形成单配体复合物，并且除雌二醇-SC 外表现出高稳定性。雌二醇-TSC 及其 N 的 Cu(II) 配合物，N-二甲基衍生物在 MCF-7、MCF-7 KCR、DU-145 和 A549 癌细胞中显示出最高的细胞毒性。根据体外无细胞和细胞测定，复合物不会破坏 DNA。所有 Cu(II)-TSC 复合物均显示出对革兰氏阳性金黄色葡萄球菌菌株的显着活性。雌二醇-TSCs 显示出有效的抗氧化活性，通过与
• Synthesis, characterization, DNA interaction, antioxidant and anticancer activity of new ruthenium(II) complexes of thiosemicarbazone/semicarbazone bearing 9,10-phenanthrenequinone
  作者：Panneerselvam Anitha、Nataraj Chitrapriya、Yoon Jung Jang、Periasamy Viswanathamurthi

  DOI：10.1016/j.jphotobiol.2013.09.005

  日期：2013.12

  A new series of octahedral ruthenium(II) complexes supported by tridentate ligands derived from phenanthrenequinone and derivatives of thiosemicarbazide/semicarbazide and other co-ligands have been synthesized and characterized. DNA binding experiments indicated that ruthenium(II) complexes can interact with DNA through non-intercalation and the apparent binding constant value (K-b) of [RuCl(CO)(PPh3)(L-3)] (3) at room temperature was calculated to be 2.27 x 10(3) M-1. The DNA cleavage studies showed that the complexes have better cleavage of pBR 322 DNA. Antioxidative activity proved that the complexes have significant radical scavenging activity against free radicals. Cytotoxic activities showed that the ruthenium(II) complexes exhibited more effective cytotoxic activity against selected cancer cells. (C) 2013 Elsevier B.V. All rights reserved.
• Koshy, Lissamma; Joshua, C. P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 530 - 531
  作者：Koshy, Lissamma、Joshua, C. P.

  DOI：——

  日期：——