2-p-Toluidino-aethylmercaptan | 5978-00-7

• 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: 2-p-Toluidino-aethylmercaptan
• 英文别名: 2-p-Toluidinoethanthiol；2-p-toluidino-ethanethiol；2-p-Toluidino-aethanthiol；NoName_3723；2-(4-methylanilino)ethanethiol
• CAS: 5978-00-7
• 化学式: C₉H₁₃NS
• 分子量: 167.275
• InChiKey: XBVHZBBSMUUACI-UHFFFAOYSA-N

物化性质

• 沸点：
  130 °C(Press: 5 Torr)
• 密度：
  1.0664 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  13
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-p-Toluidino-aethylmercaptan 在 三乙胺 、 三氯化磷 作用下， 以 正己烷 、 苯 为溶剂， 反应 2.5h， 以88.6%的产率得到2-chloro-3-(4-methylphenyl)-1,3,2-thiazaphospholidine
  参考文献：
  名称：

  AN NMR STUDY OF THE REACTIONS OF CHLOROPHOSPHINES WITH AlC1₃. PHOSPHENIUM CATIONS FEATURING A S-P-N LINKAGE

  摘要：

  The N-P+-S phosphenium cations 1, 2 and 3 have been prepared by treatment of the respective precursor chlorophosphines 4, 5 and 6 with the stoichiometric quantity of AlCl3 in CH2Cl2 solution. The cations 3 are noteworthy that they are the first aliphatic phosphenium cations featuring a P-S bond. That the values of P-31 chemical shifts of phosphenium cations 3 are larger than those of aliphatic N-P+-N and N-P+-Cl cations characterize a relative inferior it-donor ability of RS group to R2N group and to Cl. The exo conformation of group at sulfur to dialkylamino group in 3 is proposed on the rare steric effect on P-31 chemical shifts of substitutes at sulfur.

  DOI：

  10.1080/10426509808035742
• 作为产物：
  描述：

  环硫乙烷 、 乙烷,三氯氟- 以72%的产率得到2-p-Toluidino-aethylmercaptan
  参考文献：
  名称：

  AN NMR STUDY OF THE REACTIONS OF CHLOROPHOSPHINES WITH AlC1₃. PHOSPHENIUM CATIONS FEATURING A S-P-N LINKAGE

  摘要：

  The N-P+-S phosphenium cations 1, 2 and 3 have been prepared by treatment of the respective precursor chlorophosphines 4, 5 and 6 with the stoichiometric quantity of AlCl3 in CH2Cl2 solution. The cations 3 are noteworthy that they are the first aliphatic phosphenium cations featuring a P-S bond. That the values of P-31 chemical shifts of phosphenium cations 3 are larger than those of aliphatic N-P+-N and N-P+-Cl cations characterize a relative inferior it-donor ability of RS group to R2N group and to Cl. The exo conformation of group at sulfur to dialkylamino group in 3 is proposed on the rare steric effect on P-31 chemical shifts of substitutes at sulfur.

  DOI：

  10.1080/10426509808035742

文献信息

• [EN] SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES<br/>[FR] SYSTÈMES DE LIAISON CONTENANT UN SULFONAMIDE POUR CONJUGUÉS DE MÉDICAMENTS
  申请人：CT FOR DRUG RES AND DEV

  公开号：WO2015095953A1

  公开（公告）日：2015-07-02

  Sulfonamide-containing linkage systems for release of payload compounds from an attached targeting moiety in drug conjugates. The conjugates have the formula of [(P)-(L)]m-(T), wherein (P) is a payload compound, (L) is a linker, (T) is a targeting moiety and m is an integer from 1- to 10. Also provided are pharmaceutical compositions comprising such conjugates and there use in treating cancer.

  含有磺胺基的连接系统，用于从药物共轭物中的附加靶向基团释放有效成分。这些共轭物的化学式为[(P)-(L)]m-(T)，其中(P)代表有效成分，(L)代表连接剂，(T)代表靶向基团，m为1到10之间的整数。还提供了包含这种共轭物的药物组合物，并用于治疗癌症。
• CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME
  申请人：THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT

  公开号：US20140315954A1

  公开（公告）日：2014-10-23

  Compounds having cytotoxic and/or anti-mitotic activity are disclosed. The compounds have the following structure (I): including stereoisomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed. Also disclosed are compositions having the structure: (T)-(L)-(D), wherein (T) is a targeting moiety, (L) is an optional linker, and (D) is a compound having structure (I).

  公开了具有细胞毒性和/或抗有丝分裂活性的化合物。这些化合物具有以下结构（I）：包括立体异构体、药学上可接受的盐和其前药，其中R1、R2、R3、R4和R5如本文所定义。公开了与制备和使用此类化合物相关的方法，以及包含此类化合物的制药组合物。还公开了具有结构：（T）-（L）-（D）的组合物，其中（T）是靶向基团，（L）是可选的连接剂，而（D）是具有结构（I）的化合物。
• Cytotoxic and anti-mitotic compounds, and methods of using the same
  申请人：ZYMEWORKS INC.

  公开号：US10201614B2

  公开（公告）日：2019-02-12

  Compounds having cytotoxic and/or anti-mitotic activity are disclosed. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed. Also disclosed are compositions having the structure: (T)-(L)-D), wherein (T) is a targeting moiety, (L) is an optional linker, and (D) is a compound having cytotoxic and/or anti-mitotic activity.

  本研究公开了具有细胞毒性和/或抗有丝分裂活性的化合物。还公开了与制备和使用此类化合物相关的方法，以及包含此类化合物的药物组合物。还公开了具有以下结构的组合物：(T)-(L)-D)，其中(T)是靶向分子，(L)是任选连接体，(D)是具有细胞毒性和/或抗有丝分裂活性的化合物。
• VAR2CSA-drug conjugates
  申请人：ZYMEWORKS INC.

  公开号：US10675355B2

  公开（公告）日：2020-06-09

  VAR2CSA-drug conjugates having biological activity are disclosed. Methods associated with preparation and use of such conjugates, as well as pharmaceutical compositions comprising such conjugates, are also disclosed.

  本研究公开了具有生物活性的 VAR2CSA-药物共轭物。还公开了与制备和使用此类共轭物相关的方法，以及包含此类共轭物的药物组合物。
• Thermoplastic elastomer and thermoplastic elastomer composition
  申请人：Chino Keisuke

  公开号：US20060199917A1

  公开（公告）日：2006-09-07

  The objects of the present invention are to provide thermoplastic elastomers which retain an excellent recyclability while also having an excellent mechanical strength, particularly an excellent compression set, and to provide thermoplastic elastomer compositions which include such thermoplastic elastomers. These objects are achieved by the thermoplastic elastomers and thermoplastic elastomer compositions described below. One thermoplastic elastomer of the present invention is a hydrogen-bondable thermoplastic elastomer composed of an elastomeric polymer having, on side chains, carbonyl-containing groups and imidazole rings, which rings bear a hydrogen atom on a nitrogen atom and also bear an alkyl, aralkyl or aryl group. Another thermoplastic elastomer of the present invention is a thermoplastic polymer having side chains of a given structural formula that contain a carbonyl group and an imino group. The inventive thermoplastic elastomer compositions are compositions which include such thermoplastic elastomers.

  本发明的目的是提供既能保持极佳的可回收性，又具有极佳的机械强度，尤其是极佳的压缩永久变形能力的热塑性弹性体，并提供包含此类热塑性弹性体的热塑性弹性体组合物。下文所述的热塑性弹性体和热塑性弹性体组合物可实现这些目标。本发明的一种热塑性弹性体是可氢键合的热塑性弹性体，由弹性聚合物组成，其侧链上有含羰基的基团和咪唑环，咪唑环在氮原子上带有一个氢原子，同时带有一个烷基、芳基或芳基。本发明的另一种热塑性弹性体是一种热塑性聚合物，它具有特定结构式的侧链，侧链上含有一个羰基和一个亚氨基。本发明的热塑性弹性体组合物就是包括这种热塑性弹性体的组合物。