2-[(Z)-1-(t-butoxycarbonyl)cyclobut-1-yloxyimino]-2-(2-tritylaminothiazol-4-yl)acetic acid | 73101-39-0

• 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: 2-[(Z)-1-(t-butoxycarbonyl)cyclobut-1-yloxyimino]-2-(2-tritylaminothiazol-4-yl)acetic acid
• 英文别名: (Z)-2-(1-tert-butoxycarbonylcyclobut-1-oxyimino)-2-(2-tritylaminothiazol-4-yl)acetic acid；(Z)-2-(1-t-Butoxycarbonylcyclobut-1-oxyimino)-2-(2-tritylaminothiazol-4-yl) acetic acid；(2Z)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
• CAS: 73101-39-0
• 化学式: C₃₃H₃₃N₃O₅S
• 分子量: 583.708
• InChiKey: RLIIROLYNCDXLI-RLANJUCJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-[(Z)-1-(t-butoxycarbonyl)cyclobut-1-yloxyimino]-2-(2-tritylaminothiazol-4-yl)acetic acid 、 7-Aminocephalosporanic acid t-butyl ester 生成 t-Butyl (6R,7R)-3-Acetoxymethyl-7-[ (Z)-2-(1-t-butoxy-carbonylcyclobut-1-oxyimino)-2-(2-tritylaminothiazol-4-yl)acetamido]-ceph-3-em-4-carboxylate
  参考文献：
  名称：

  OCALLAGHAN, C. H.;LIVERMORE, D. G. H.;NEWALL, C. E.

  摘要：

  DOI：
• 作为产物：
  描述：

  Ethyl (Z)-2-(2-tritylaminothiazol-4-yl)-2-(1-t-butoxycarbonylcyclobut-1-oxyimino) acetate 生成 2-[(Z)-1-(t-butoxycarbonyl)cyclobut-1-yloxyimino]-2-(2-tritylaminothiazol-4-yl)acetic acid
  参考文献：
  名称：

  KAMACHI, HAJIME;OKUMURA, JUN;NAITO, TAKAYUKI;OKA, MASAHISA;YAMASHITA, HAR+

  摘要：

  DOI：

文献信息

• Cephalosporin derivatives
  申请人：Bristol-Myers Company

  公开号：US04486586A1

  公开（公告）日：1984-12-04

  7-(Z)-2-(2-Aminothiazol-4-yl)-2-[(substituted)oxyimino]acetamido}-3-[3-(qu aternary ammonio)-1-propen-1-yl]-3-cephem-4-carboxylates and salts, esters and solvates thereof, having potent antibacterial activity, are provided. Processes for their preparation and intermediates in their preparation also are disclosed.

  提供具有强效抗菌活性的7-(Z)-2-(2-氨基噻唑-4-基)-2-[(取代)氧肟基]乙酰氨基}-3-[3-(季铵)-1-丙烯-1-基]-3-头孢烯-4-羧酸盐、酯和溶剂化物。还公开了制备它们的方法和制备中间体。
• Chemical compounds
  申请人：Bristol-Myers Company

  公开号：US04507487A1

  公开（公告）日：1985-03-26

  Compounds of the formula ##STR1## wherein R.sup.1 is hydrogen or a conventional amino-protecting group, R.sup.2 is a straight or branched chain alkyl group containing from 1 to 4 carbon atoms, allyl, 2-butenyl, 3-butenyl, propargyl, 2-butynyl, 3-butynyl, cycloalkyl containing from 3 to 6 carbon atoms or a group of the formula ##STR2## in which R.sup.3 and R.sup.4 each are independently hydrogen, methyl or ethyl, or R.sup.3 and R.sup.4, taken together with the carbon atom to which they are attached, may be a cycloalkylidene ring containing from 3 to 6 carbon atoms or a substituted cyclobutylidene ring of the formula ##STR3## wherein X is halogen, hydroxy or (lower)alkoxy, and R.sup.5 and R.sup.6 each are independently hydrogen, halogen, amino, carbamoyl, acylamino, acyloxy, (lower)alkyl, (lower)alkenyl, (lower)alkoxy, (lower)alkylamino or (lower)alkylthio, in which each (lower)alkyl, (lower)alkoxy, (lower)alkylamino or (lower)alkylthio group may contain 1 or 2 substituents selected from amino, carboxy, halogen and nontoxic pharmaceutically acceptable acid addition salts, physiologically hydrolyzable esters and solvates thereof, as well as processes for their preparation, are disclosed. The compounds in which R.sup.1 is hydrogen are potent antibacterial agents.

  本发明涉及公式##STR1##的化合物，其中R.sup.1为氢或传统的氨基保护基，R.sup.2为直链或支链烷基，含有1至4个碳原子，烯丙基，2-丁烯基，3-丁烯基，丙炔基，2-丁炔基，3-丁炔基，含有3至6个碳原子的环烷基或公式##STR2##的基团，其中R.sup.3和R.sup.4各自独立地为氢，甲基或乙基，或R.sup.3和R.sup.4与它们所连接的碳原子一起，可以是含有3至6个碳原子的环烷亚基环或公式##STR3##的取代环丁烷亚基环，其中X为卤素，羟基或(较低)烷氧基，R.sup.5和R.sup.6各自独立地为氢，卤素，氨基，氨基甲酰，酰胺基，酰氧基，(较低)烷基，(较低)烯基，(较低)烷氧基，(较低)烷基氨基或(较低)烷基硫基，其中每个(较低)烷基，(较低)烷氧基，(较低)烷基氨基或(较低)烷基硫基基团可以包含1或2个从氨基，羧基，卤素和无毒药学可接受的酸盐加成物，生理可水解酯和溶剂化物中选择的取代基。其中R.sup.1为氢的化合物是强效的抗菌剂。本发明还涉及它们的制备方法。
• Cephalosporin derivatives, a process for the manufacture thereof and pharmaceutical compositions containing said derivatives
  申请人：Bristol-Myers Company

  公开号：EP0097961A2

  公开（公告）日：1984-01-11

  Compounds of the formula wherein R' is hydrogen or a conventional amino-protecting group, R2 is a straight or branched chain alkyl group containing from 1 to 4 carbon atoms, allyl, 2-butenyl, 3-butenyl or a group of the formula in which R3 and R4 each are independently hydrogen, methyl or ethyl, or R3 and R4, taken together with the carbon atom to which they are attached, may be a cycloalkylidene ring containing from 3 to 5 carbon atoms, and R5 is hydrogen, amino, (lower)-alkyl, (lower)alkoxy or (lower)alkylthio, and nontoxic pharmaceutically acceptable acid addition salts, physiologically hydrolyzable esters and solvates thereof, as well as processes for their preparation, are disclosed. The compounds in which R' is hydrogen are potent antibacterial agents.

  式中的化合物 其中 R'是氢或常规氨基保护基团，R2 是含有 1 至 4 个碳原子的直链或支链烷基、烯丙基、2-丁烯基、3-丁烯基或式 1 的基团 其中 R3 和 R4 各自独立地为氢、甲基或乙基，或者 R3 和 R4 连同它们所连接的碳原子可以是含有 3 至 5 个碳原子的亚环烷基环，R5 为氢、氨基、（低级）烷基、（低级）烷氧基或（低级）烷硫基，本发明公开了这些化合物的无毒药学上可接受的酸加成盐、生理上可水解的酯和溶液以及它们的制备工艺。其中 R' 为氢的化合物是强效抗菌剂。
• OCALLAGHAN, C. H.;AYRES, B. E.;LIVERMORE, D. G. H.;NEWALL, C. E.;WEIR, N.+
  作者：OCALLAGHAN, C. H.、AYRES, B. E.、LIVERMORE, D. G. H.、NEWALL, C. E.、WEIR, N.+

  DOI：——

  日期：——
• ——
  作者：NARITA YUKIO、 IIMURA SEHJDZI、 YUKI SIMPEHJ、 OKUMURA DZYUN、 NAJTO TAKAYUKI

  DOI：——

  日期：——