Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester | 101646-12-2

• 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: Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester
• 英文别名: tert-butyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoyl]-3-phenylprop-2-enoyl]amino]benzoate
• CAS: 101646-12-2
• 化学式: C₃₂H₃₄N₂O₆
• 分子量: 542.6
• InChiKey: HXWKOZXSDVTPBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4H-3,1-Benzoxazin-4-one, 2,2'-(2-phenylethenylidene)bis- 、 、 potassium tert-butylate 在 水 、 ice 、 盐酸 、 氯仿 、 氯化钠 、 magnesium sulfate 、 silica gel 、 苯 、 乙酸乙酯 作用下， 以 苯 、 氯仿 为溶剂， 反应 1.0h， 以to give the desired compound as white solid (801 mg, crude yield 58%)的产率得到Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diimino)bis-, bis(1,1-dimethylethyl) ester
  参考文献：
  名称：

  Pharmaceutical compositions of-2,2-1,1-[bis-2,2'-(3,1-benzoxazin-4-one)9

  摘要：

  本发明涉及一般式化合物的制药组合物：##STR1##其中R.sup.1是芳基或取代芳基，其中取代基是卤素，羟基，C.sub.(1-6)低烷氧基，C.sub.(1-6)低烷二氧基，卤代C.sub.(1-6)低烷基，氰基，硝基，单或双C.sub.(1-6)烷基氨基或C.sub.(1-6)低烷酰胺基；或含有氧，氮和硫的5-或6-成员C.sub.(1-6)烷基取代或未取代的杂环基，或由上述异环和苯环组成的紧缩杂环基，R.sup.2和R.sup.2'独立地是氢，卤素，硝基，C.sub.(1-6)低烷基或C.sub.(1-6)低烷氧基。已发现这些化合物表现出透明质酸酶抑制活性，抗过敏活性和抗溃疡活性。本发明还涉及制备所述化合物及其制药组合物的过程。

  公开号：

  US04822791A1

文献信息

• Pharmaceutical compositions of
  申请人：Sawai Pharmaceutical Co., Ltd.

  公开号：US04755506A1

  公开（公告）日：1988-07-05

  Compounds of the general formula: ##STR1## wherein A and B are both hydrogen, or one of A and B is a group (G) of the formula: ##STR2## and the other is a group R.sup.5 wherein R.sup.1 is an aryl group or a heterocyclic group, both of them being optionally substituted, and R.sup.4 and R.sup.5 are both hydrogen or together form a single chemical bond, R.sup.2 and R.sup.2 ' are independently hydrogen, halogen, nitro, lower alkyl or lower alkoxy, and R.sup.3 and R.sup.3 ' are independently carboxy or its functional derivative, with the proviso that (a) when A and B are both hydrogen, then R.sup.2 and R.sup.2 ' cannot be both hydrogen, and, where applicable, pharmaceuticably acceptable salts thereof are hyaluronidase inhibitors, and useful as anti-allergic agent and anti-ulcerous agent. Among the compound (I'), those wherein when one of A and B is the group (G) and the other is the group R.sup.5 wherein R.sup.4 and R.sup.5 together form a single chemical bond, R.sup.1 is unsubstituted aryl and R.sup.2 and R.sup.2 ' are both hydrogen, then R.sup.3 and R.sup.3 ' are independently carboxy or its functional derivative other than methyl ester, are novel.

  一般式为：##STR1## 其中A和B均为氢，或者A和B中的一个是式为：##STR2## 的基团（G），另一个是R.sup.5基团，其中R.sup.1是取代的芳基或杂环基团，R.sup.4和R.sup.5均为氢或者一起形成单一的化学键，R.sup.2和R.sup.2'独立地为氢、卤素、硝基、低级烷基或低级烷氧基，R.sup.3和R.sup.3'独立地为羧基或其官能衍生物，但是当A和B均为氢时，R.sup.2和R.sup.2'不能同时为氢。其中，化合物（I'）中，当A和B中的一个是基团（G），另一个是R.sup.5基团，其中R.sup.4和R.sup.5一起形成单一的化学键，R.sup.1为非取代芳基，R.sup.2和R.sup.2'均为氢时，R.sup.3和R.sup.3'独立地为羧基或其官能衍生物（甲酯除外），是新的。该化合物及其药学上可接受的盐是透明质酸酶抑制剂，可用作抗过敏剂和抗溃疡剂。
• [(1,3-dioxo-1,3-propanediyl)diimino)]bisbenzoic acid derivatives
  申请人：Sawai Pharmaceutical Co., Ltd.

  公开号：US04634777A1

  公开（公告）日：1987-01-06

  Compounds of the general formula: ##STR1## wherein A and B are both hydrogen, or one of A and B is a group (G) of the formula: ##STR2## and the other is a group R.sup.5 wherein R.sup.1 is an aryl group or a heterocyclic group, both of them being optionally substituted, and R.sup.4 and R.sup.5 are both hydrogen or together form a single chemical bond, R.sup.2 and R.sup.2 ' are independently hydrogen, halogen, nitro, lower alkyl or lower alkoxy, and R.sup.3 and R.sup.3 ' are independently carboxy or its functional derivative, with the proviso that (a) when A and B are both hydrogen, then R.sup.2 and R.sup.2 ' cannot be both hydrogen, and, where applicable, pharmaceuticably acceptable salts thereof are hyaluronidase inhibitors, and useful as anti-allergic agent and anti-ulcerous agent. Among the compound (I'), those wherein when one of A and B is the group (G) and the other is the group R.sup.5 wherein R.sup.4 and R.sup.5 together form a single chemical bond, R.sup.1 is unsubstituted aryl and R.sup.2 and R.sup.2 ' are both hydrogen, then R.sup.3 and R.sup.3 ' are independently carboxy or its functional derivative other than methyl ester, are novel.

  通式为：##STR1## 其中A和B都是氢，或者A和B中的一个是公式（G）的基团：##STR2## 另一个是基团R.sup.5，其中R.sup.1是芳基或杂环基团，两者都可以选择性地取代，而R.sup.4和R.sup.5都是氢或者一起形成单一化学键，R.sup.2和R.sup.2'分别是氢、卤素、硝基、低烷基或低烷氧基，而R.sup.3和R.sup.3'分别是羧基或其功能衍生物，但有以下规定：（a）当A和B都是氢时，R.sup.2和R.sup.2'不能同时为氢，其中适用的药学上可接受的盐是透明质酸酶抑制剂，可用作抗过敏剂和抗溃疡剂。在化合物（I'）中，当A和B中的一个是基团（G）而另一个是基团R.sup.5，其中R.sup.4和R.sup.5一起形成单一化学键，R.sup.1是未取代的芳基，而R.sup.2和R.sup.2'都是氢时，R.sup.3和R.sup.3'分别是羧基或其功能衍生物，但不包括甲酯时，是新颖的。
• Pharmaceutical compositions of-2,2-1,1-[bis-2,2'-(3,1-benzoxazin-4-one)9
  申请人：Sawai Pharmaceutical Co., Ltd.

  公开号：US04822791A1

  公开（公告）日：1989-04-18

  This invention relates to pharmaceutical compositions of compounds of the general formula: ##STR1## wherein R.sup.1 is an aryl group or a substituted aryl group wherein the substituent is halogen, hydroxy, C.sub.(1-6) lower alkoxy, C.sub.(1-6) lower alkylenedioxy, halo C.sub.(1-6) lower alkyl, cyano, nitro, mono- or di-C.sub.(1-6) alkylamino or C.sub.(1-6) lower alkanoylamino; or a 5-membered or 6-membered C.sub.(1-6) alkyl substituted or unsubstituted heterocyclic group containing a heteroatom selected from oxygen, nitrogen, and sulfur, or a condensed heterocyclic group consisting of a heterocycle as defined above and a benzene nucleus, and R.sup.2 and R.sup.2' are, independently, hydrogen, halogen, nitro, C.sub.(1-6) lower alkyl or C.sub.(1-6) lower alkoxy. These compounds have been found to exhibit hyaluronidase inhibiting activity, anti-allergic activity and anti-ulcerous activity. The present invention further contemplates processes for the preparation of said compounds and their pharmaceutical compositions.

  本发明涉及一般式化合物的制药组合物：##STR1##其中R.sup.1是芳基或取代芳基，其中取代基是卤素，羟基，C.sub.(1-6)低烷氧基，C.sub.(1-6)低烷二氧基，卤代C.sub.(1-6)低烷基，氰基，硝基，单或双C.sub.(1-6)烷基氨基或C.sub.(1-6)低烷酰胺基；或含有氧，氮和硫的5-或6-成员C.sub.(1-6)烷基取代或未取代的杂环基，或由上述异环和苯环组成的紧缩杂环基，R.sup.2和R.sup.2'独立地是氢，卤素，硝基，C.sub.(1-6)低烷基或C.sub.(1-6)低烷氧基。已发现这些化合物表现出透明质酸酶抑制活性，抗过敏活性和抗溃疡活性。本发明还涉及制备所述化合物及其制药组合物的过程。