4-Methyl-dithiobenzoesaeure-(carboxy-methylester) | 57149-19-6

• 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: 4-Methyl-dithiobenzoesaeure-(carboxy-methylester)
• 英文别名: Acetic acid, [[(4-methylphenyl)thioxomethyl]thio]-；2-(4-methylbenzenecarbothioyl)sulfanylacetic acid
• CAS: 57149-19-6
• 化学式: C₁₀H₁₀O₂S₂
• mdl: MFCD25964790
• 分子量: 226.32
• InChiKey: PXOOGAWEPXWIRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  94.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Methyl-dithiobenzoesaeure-(carboxy-methylester) 在 potassium phosphate monohydrate 、 ((2S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-3-methylpentyl)(3,5-di-tert-butylbenzyl)diphenylphosphonium bromide 、 三氟乙酸 、 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 12.0h， 生成 4-benzyl-4-(phenylethynyl)-2-(p-tolyl)thiazol-5(4H)-one
  参考文献：
  名称：

  噻唑酮和吖内酯的不对称催化炔基化合成季α-氨基酸前体

  摘要：

  描述了硫脲鏻盐催化的噻唑酮和吖内酯的不对称炔基化反应，其中炔基苯并氧唑酮作为亲电炔烃源。通过使用噻唑酮作为亲核试剂，以 55-89% 的产率和 31-86% 的 ee 获得所需的炔烃官能化噻唑酮。Azlactones 以较低的对映选择性以相当的产率得到所需的产物。炔基化产物的开环导致α，α-二取代的α-氨基酸衍生物有效而不会损失对映选择性。

  DOI：

  10.1039/d1ob00582k
• 作为产物：
  描述：

  对甲苯基溴化镁 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 4-Methyl-dithiobenzoesaeure-(carboxy-methylester)
  参考文献：
  名称：

  Jensen; Pedersen, Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 1087,1089

  摘要：

  DOI：

文献信息

• Hydrazidine; VI¹: Synthese von<i>N</i> ¹,<i>N</i> ²-Dimethylhydrazidinen und 1, 2-Dihydro-1,2-dimethyl-1,2,4,5-tetrazinen
  作者：Hans Neunhoeffer、Ute Karafiat、Matthias Vey

  DOI：10.1055/s-1992-26183

  日期：——

  Hydrazidines, VI. Synthesis of N1,N2-Dimethylhydrazidines and 1,2-Dihydro-1,2-dimethyl-1,2,4,5-tetrazines Starting with (thiobenzoylthio)acetic acids 1 N1,N2-dimethylbenzohydrazide hydrazones 5 were prepared. Cyclization of 5 with trimethyl orthobenzoate affords 1,2-dihydro-1,2-dimethyl-1,2,4,5-tetrazines 6.

  肼类，第六部分。N1,N2-二甲基肼和1,2-二氢-1,2-二甲基-1,2,4,5-四嗪的合成，从（硫代苯甲酰硫代）乙酸开始，制备了N1,N2-二甲基苯并肼羰基脒5。5与三甲基原苯甲酸酯的环化反应得到1,2-二氢-1,2-二甲基-1,2,4,5-四嗪6。
• 5-ARYL- AND 5-ALKYL-1,2,3,4-THIATRIAZOLES: SYNTHETIC, SPECTROSCOPIC, AND DEGRADATIVE STUDIES
  作者：Eugene Lieber、C. N. R. Rao、R. C. Orlowski

  DOI：10.1139/v63-131

  日期：1963.4.1

  A number of 5-(p-substituted)phenyl-1,2,3,4-thiatriazoles have been synthesized by the diazotization of p-substituted thiobenzhydrazides or by the reaction of sodium thiobenzoyl-thioglycollates with sodium azide. The thermal decomposition of these thiatriazoles yields nitriles, nitrogen, and sulphur. 5-Alkyl-1,2,3,4-thiatriazoles are very unstable and readily decompose to nitriles. Infrared and ultraviolet absorption spectra of 5-(p-substituted)phenyl-1,2,3,4-thiatriazoles have been studied. Infrared spectra of several thiohydrazides have also been studied and there appears to be no thiol–thione tautomerism in these derivatives. The thiatriazole ring is found to be electron withdrawing.

  一些5-(对取代)苯基-1,2,3,4-噻二唑已通过对对取代硫代苯甲酰肼进行重氮化或通过硫代苯甲酰巯基乙酸钠与偏硫酸钠的反应合成。这些噻二唑的热分解产生腈、氮和硫。5-烷基-1,2,3,4-噻二唑非常不稳定，并容易分解为腈。对5-(对取代)苯基-1,2,3,4-噻二唑的红外和紫外吸收光谱进行了研究。还研究了几种硫代肼的红外光谱，这些衍生物中似乎没有巯基-硫酮互变异构。噻二唑环被发现是电子吸引的。
• Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0601520A1

  公开（公告）日：1994-06-15

  A thioester derivative of 3'-O-propargyltrifluorothymidine, which is useful as an anti-cancer agent is disclosed. The thioester derivative according to the present invention is represented by the formula (1): (wherein R¹ represents phenyl group, phenyl group substituted with 1 to 5 halogen atoms, phenyl group substituted with 1 to 5 C₁ - C₄ alkyl groups, phenyl group substituted with 1 to 5 C₁ - C₄ alkoxyl groups, phenyl group substituted with 1 to 5 C₁ - C₄ alkylthio groups, phenyl group substituted with 1 to 5 C₁ - C₅ alkanoylamino groups, phenyl group substituted with 1 to 5 trifluoromethyl groups, furyl group, thienyl group or pyrrolyl group).

  本发明公开了一种3'-O-丙炔基三氟胸腺嘧啶的硫酯衍生物，该衍生物可用作抗癌剂。根据本发明，该硫酯衍生物的化学式为（1）：（其中R¹代表苯基、取代有1至5个卤素原子的苯基、取代有1至5个C₁-C₄烷基的苯基、取代有1至5个C₁-C₄烷氧基的苯基、取代有1至5个C₁-C₄烷硫基的苯基、取代有1至5个C₁-C₅烷酰胺基的苯基、取代有1至5个三氟甲基的苯基、呋喃基、噻吩基或吡咯基）。
• Cell culture medium and process for protein expression, said medium and process comprising a PAM inhibitor
  申请人：SANDOZ GMBH

  公开号：EP2450375A1

  公开（公告）日：2012-05-09

  The present invention is related to a cell culture medium for the expression of a protein, which medium comprises a PAM inhibitor, or a physiological equivalent thereof, and to a cell culture process for the expression of a protein, in which process a PAM inhibitor, or a physiological equivalent thereof, is used (Fig. 1).

  本发明涉及一种用于表达蛋白质的细胞培养基，该培养基包含 PAM 抑制剂或其生理等效物；本发明还涉及一种用于表达蛋白质的细胞培养过程，在该过程中使用了 PAM 抑制剂或其生理等效物（图 1）。
• 5′-Phenyl-3′H-spiro[indoline-3,2′-[1,3,4]thiadiazol]-2-one inhibitors of ADAMTS-5 (Aggrecanase-2)
  作者：Matthew G. Bursavich、Adam M. Gilbert、Sabrina Lombardi、Katy E. Georgiadis、Erica Reifenberg、Carl R. Flannery、Elisabeth A. Morris

  DOI：10.1016/j.bmcl.2007.07.048

  日期：2007.10

  5'-Phenyl-3' H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-2-one inhibitors of ADAMTS-5 (Aggrecanase-2) have been prepared via commercially available starting materials. Selected compounds 23, 33-35 show sub-micromolar ADAMTS-5 potency and strong SAR trends with selectivity over the related metalloproteases ADAMTS-4 (Aggrecanase-1), MMP12, and MMP13. This series of compounds represents progress toward a selective ADAMTS-5 inhibitor as a disease modifying osteoarthritis drug. (c) 2007 Elsevier Ltd. All rights reserved.