α-tritylthio-N-methylacetamide | 90497-40-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: α-tritylthio-N-methylacetamide
• 英文别名: alpha-tritylthio-N-methylacetamide；N-methyl-2-tritylsulfanylacetamide
• CAS: 90497-40-8
• 化学式: C₂₂H₂₁NOS
• 分子量: 347.481
• InChiKey: MLHIOQQISFGVMV-UHFFFAOYSA-N

物化性质

• 沸点：
  515.1±38.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氯-N-甲基乙酰胺 、 三苯甲硫醇 在 sodium 作用下， 以 乙醇 为溶剂， 生成 α-tritylthio-N-methylacetamide
  参考文献：
  名称：

  Fluoralkylatedcarbapenem derivatives

  摘要：

  6-(1'-氟乙基)-和6-(1'-氟-1'-甲基乙基)-头孢菌素，例如(5RS,6RS)-1-氮杂-6-(1(RS)-氟乙基)-3-(N'-二甲基-N'-甲基氨基甲硫基)-7-氧代双环[3.2.0]庚-2-烯-2-羧酸，这些化合物在特定情况下可用作化疗药物，特别是作为抗菌活性抗生素。

  公开号：

  US04720490A1

文献信息

• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：POLYPHOR AG

  公开号：US20150051183A1

  公开（公告）日：2015-02-19

  The conformationally restricted, spatially defined macrocyclic ring system of formula (I) is constituted by three distinct molecular parts: Template A, conformation Modulator B and Bridge C. Macrocycles described by this ring system I are readily manufactured by parallel synthesis or combinatorial chemistry in solution or on solid phase. They are designed to interact with a variety of specific biological target classes, examples being agonistic or antagonistic activity on G-protein coupled receptors (GPCRs), inhibitory activity on enzymes or antimicrobial activity. In particular, these macrocycles show inhibitory activity on endothelin converting enzyme of subtype 1 (ECE-1) and/or the cysteine protease cathepsin S (CatS), and/or act as antagonists of the oxytocin (OT) receptor, thyrotropin-releasing hormone (TRH) receptor and/or leukotriene B4 (LTB4) receptor, and/or as agonists of the bombesin 3 (BB3) receptor, and/or show antimicrobial activity against at least one bacterial strain. Thus they are showing great potential as medicaments for a variety of diseases.

  公式（I）的构象受限、空间定义的大环环系统由三个不同的分子部分组成：模板A、构象调节剂B和桥C。由这种环系统I描述的大环可通过并行合成或溶液中或固相上的组合化学轻松制造。它们被设计用于与各种特定生物靶标类相互作用，例如在G蛋白偶联受体（GPCR）上的激动或拮抗活性，酶的抑制活性或抗菌活性。特别是，这些大环显示对亚型1的内皮素转化酶（ECE-1）和/或半胱氨酸蛋白酶卡特普辛S（CatS）的抑制活性，和/或作为催产素（OT）受体、促甲状腺释放激素（TRH）受体和/或白三烯B4（LTB4）受体的拮抗剂，和/或作为瘤胃素3（BB3）受体的激动剂，和/或对至少一种细菌菌株显示抗菌活性。因此，它们显示出作为各种疾病药物的巨大潜力。
• Conformationally constrained, fully synthetic macrocyclic compounds
  申请人：POLYPHOR AG

  公开号：US10017481B2

  公开（公告）日：2018-07-10

  The conformationally restricted, spatially defined macrocyclic ring system of formula (I) is constituted by three distinct molecular parts: Template A, conformation Modulator B and Bridge C. Macrocycles described by this ring system I are readily manufactured by parallel synthesis or combinatorial chemistry in solution or on solid phase. They are designed to interact with a variety of specific biological target classes, examples being agonistic or antagonistic activity on G-protein coupled receptors (GPCRs), inhibitory activity on enzymes or antimicrobial activity. In particular, these macrocycles show inhibitory activity on endothelin converting enzyme of subtype 1 (ECE-1) and/or the cysteine protease cathepsin S (CatS), and/or act as antagonists of the oxytocin (OT) receptor, thyrotropin-releasing hormone (TRH) receptor and/or leukotriene B4 (LTB4) receptor, and/or as agonists of the bombesin 3 (BB3) receptor, and/or show antimicrobial activity against at least one bacterial strain. Thus they are showing great potential as medicaments for a variety of diseases.

  式（I）的构象受限、空间限定的大环环系统由三个不同的分子部分构成，分别是模板 A、构象调节剂 B 和桥 C：这种环系统 I 所描述的大环很容易通过平行合成或组合化学在溶液或固相中制造出来。它们可与各种特定的生物靶标相互作用，例如对 G 蛋白偶联受体（GPCR）的激动或拮抗活性、对酶的抑制活性或抗菌活性。特别是，这些大环化合物对亚型 1 内皮素转换酶（ECE-1）和/或半胱氨酸蛋白酶 cathepsin S（CatS）具有抑制活性，和/或可作为催产素（OT）受体的拮抗剂、或白三烯 B4（LTB4）受体的拮抗剂，和/或作为弹力素 3（BB3）受体的激动剂，和/或对至少一种细菌菌株具有抗菌活性。因此，它们作为治疗各种疾病的药物显示出巨大的潜力。
• US4720490A
  申请人：——

  公开号：US4720490A

  公开（公告）日：1988-01-19
• [EN] FLUORALKYLATEDCARBAPENEM DERIVATIVES
  申请人：——

  公开号：WO1984000547A1

  公开（公告）日：1984-02-16

  (EN) Compounds of formula (I), wherein, R1 represents hydrogen or methyl and R2 represents hydrogen or lower alkyl, lower alkenyl or cycloalkyl each of which may be unsubstituted or mono- or polysubstituted by amino, mono- or di-(lower)-alkylamino, lower acylamino, carboxy, lower alkoxycarbonyl or carbamoyl; a group of formula IIc: (CH2)p-R7, wherein R7 represents phenyl or a 5- or 6-membered saturated or unsaturated heterocycle containing one or more heteroatoms selected from 0, S and/or N and which may be unsubstituted or mono- or polysubstituted by fluoro, chloro, bromo, amino, mono- or di-(lower)-alkylamino, hydroxy, lower alkoxy, mercapto, alkylthio, phenylthio, sulfamoyl, guanidino, nitro, cyano, lower acylamino, carboxyl, alkoxycarbonyl or carbamoyl and p is 0, 1, 2 or 3; or a group of formula (II), (IIa), (IIb), wherein R4, R5 and R6 may be the same or different and each represents hydrogen or lower alkyl or R4 and R6 and/or R5 and one of the CH2 groups may be joined to form a ring as may R5 and R6 in formula II and R4 and R5 in IIa and IIb, which rings may be unsubstituted or mono- or poly-substituted by alkyl, hydroxy, carboxy or di-(lower)-alkylamino, m is 2 or 3, and n is 1, 2 or 3 with the proviso that when R1 is hydrogen and the group containing it has R-configuration, R2 is other than acetylaminoethyl; or protected forms and/or physiologically-hydrolysable and acceptable ester forms thereof; in free acid or salt form or in the form of zwitter-ions. The compounds exhibit chemotherapeutic properties and are particularly indicated for use as anti-bacterially active antibiotics. (FR) Composés de formule (I) où R1 représente un hydrogène ou un méthyl et R2 représente un hydrogène ou un alkyl inférieur, un alkényl inférieur ou un cycloalkyl, chacun desquels peut être non substitué ou mono-ou polysubstitué par un amino, un monoalkylamino ou un dialkylamino inférieur, un acylamino inférieur, un carboxy, un alkoxycarbonyl inférieur ou un carbamoyle. Un groupe correspondant à la formule (IIc) où R7 représente un phényl ou un éthérocycle saturé ou insaturé à 5 ou 6 membres contenant un ou plusieurs éthéroatomes sélectionnés à partir de O, S et/ou N et qui peut être non subsitué ou mon-ou polysubstitué par du fluor, chlore, braume, amino, monoalkylamino ou dialkylamino inférieur, hydroxy, alkoxy inférieur, mercapto, alkylthio, phénylthio, sulfamoyl, guanidino, nitro, cyano, acylamino inférieur, carboxyl, alkoxycarbonyl ou carbamoyl et p vaut 0, 1, 2 ou 3; ou un groupe de formule (II), (IIa) et (IIb), où R4, R5 et R6 peuvent être identiques ou différents et représentent chacun un hydrogène ou alkyl inférieur ou R4 et R6 et/ou R5 et un des groupes CH2 peuvent être reliés pour former un cycle, de même que pour R5 et R6 dans la formule (II) et R4 et R5 dans la formule (IIa) et (IIb), ces cycles pouvant être non substitués ou mono- ou polysubstitués par un alkyl, un hydroxy, un carboxy ou un dialkylamino inférieur, M vaut 2 ou 3, et n vaut 1, 2 ou 3, à condition que lorsque R1 est un hydrogène et le groupe le contenant possède une configuration R, R2 n"est pas un acétylaminoéthyl; formes protégées et/ou formes d"ester physiologiquement hydrolysables et acceptables de ces composés; sous forme de sels ou d"acides libres ou sous forme d"ions amphotériques. Ces composés présentent des propriétés chimiothérapeutiques et sont particulièrement indiqués pour être utilisés comme antibiotiques à action antibactérienne.
• Fluoralkylatedcarbapenem derivatives
  申请人：Sandoz Ltd.

  公开号：US04720490A1

  公开（公告）日：1988-01-19

  6-(1'-fluorethyl)- and 6-(1'-fluoro-1'-methylethyl)-carbapenems such as (5RS,6RS)-1-aza-6-(1(RS)-fluorethyl)-3-(N'-dimethyl-N'-methylamidinomethyl thio)-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylic acid which are useful as chemotherapeutic agents in particular as anti-bacterially active anti-biotics.

  6-(1'-氟乙基)-和6-(1'-氟-1'-甲基乙基)-头孢菌素，例如(5RS,6RS)-1-氮杂-6-(1(RS)-氟乙基)-3-(N'-二甲基-N'-甲基氨基甲硫基)-7-氧代双环[3.2.0]庚-2-烯-2-羧酸，这些化合物在特定情况下可用作化疗药物，特别是作为抗菌活性抗生素。