3-acetylbenzenecarboximidamide hydrochloride | 60694-95-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-acetylbenzenecarboximidamide hydrochloride
• 英文别名: 3-amidinoacetophenone hydrochloride；3-acetylbenzamidine hydrochloride；3-Acetylbenzenecarboximidamide, Hydrochloride；3-acetylbenzenecarboximidamide;hydrochloride
• CAS: 60694-95-3
• 化学式: C₉H₁₀N₂O*ClH
• 分子量: 198.652
• InChiKey: HQDCBIDXELMUHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  66.9
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-acetylbenzenecarboximidamide hydrochloride 在 溴 、 溶剂黄146 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 0.5h， 生成 3-<2-<(aminoiminomethyl)amino>-4-thiazolyl>benzenecarboximidamide dihydrobromide hemiethanolate
  参考文献：
  名称：

  具有强组胺H 2拮抗活性的2-胍基-4-（3-取代-苯基）噻唑的合成

  摘要：

  报道了显示出有效的组胺H 2拮抗活性的新型2-胍基-4-（3-取代的苯基）噻唑的合成。最有效的化合物是17，其中在苯环的3位上的取代是N-甲基ami基官能团。

  DOI：

  10.1002/jhet.5570280839
• 作为产物：
  描述：

  3-乙酰苯腈 在 ammonium carbonate 、 盐酸 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 5.0h， 生成 3-acetylbenzenecarboximidamide hydrochloride
  参考文献：
  名称：

  具有强组胺H 2拮抗活性的2-胍基-4-（3-取代-苯基）噻唑的合成

  摘要：

  报道了显示出有效的组胺H 2拮抗活性的新型2-胍基-4-（3-取代的苯基）噻唑的合成。最有效的化合物是17，其中在苯环的3位上的取代是N-甲基ami基官能团。

  DOI：

  10.1002/jhet.5570280839

文献信息

• Imidazole derivatives, their preparation and their use as
  申请人：Novartis AG

  公开号：US05840911A1

  公开（公告）日：1998-11-24

  Described are compounds of formula I ##STR1## wherein R.sub.1 is hydrogen or hydroxy; R.sub.2, R.sub.2 ' and R.sub.2 " are each independently of the others hydrogen or a substituent other than hydrogen; either R.sub.3 is hydrogen or a substituent other than hydrogen and R.sub.4 is hydrogen or lower alkyl, or R.sub.3 and R.sub.4 together form a divalent radical of the formula --(CH.sub.2).sub.n -- wherein n is 2 or 3; R.sub.5 and R.sub.6 are each independently of the other hydrogen, alkyl or aryl; and either R.sub.7 and R.sub.8 are each hydrogen, or R.sub.7 and R.sub.8 together form a bond; tautomers thereof, provided that at least one tautomerisable group is present; and salts thereof. The compounds inhibit the enzyme S-adenosylmethionine decarboxylase and are suitable, for example, for the treatment of tumours and protozoal infections.

  描述的是式I的化合物##STR1##其中R.sub.1是氢或羟基；R.sub.2、R.sub.2'和R.sub.2"各自独立地是氢或除氢以外的取代基；R.sub.3要么是氢要么是除氢以外的取代基，而R.sub.4是氢或较低的烷基，或者R.sub.3和R.sub.4一起形成式--(CH.sub.2).sub.n--的二价基团，其中n为2或3；R.sub.5和R.sub.6各自独立地是氢、烷基或芳基；而R.sub.7和R.sub.8要么各自是氢，要么R.sub.7和R.sub.8一起形成键；其互变异构体，只要至少存在一个互变异构基团；以及其盐。这些化合物抑制S-腺苷甲硫氨酸脱羧酶酶，并适用于例如治疗肿瘤和原虫感染。
• 2-Guanyl-4-(substituted phenyl) thiazole derivatives
  申请人：American Home Products Corporation

  公开号：US04452985A1

  公开（公告）日：1984-06-05

  Compounds of the formula: ##STR1## wherein R.sup.1 is hydrogen, cyano or cyano(lower)alkyl; R.sup.2 is hydrogen, cyano, carboxy, carbamoyl, guanyl, (lower)alkoxyimino, hydrazinocarbonyl, (lower)alkylaminoimino, ##STR2## with the proviso that one but never both of R.sup.1 and R.sup.2 is hydrogen; and the pharmacologically acceptable salts thereof exhibit H.sub.2 -receptor antagonist and gastric secretion inhibition activity.

  该化合物的结构式为：##STR1## 其中R.sup.1是氢、氰或氰（较低）烷基；R.sup.2是氢、氰、羧基、氨基甲酰基、鸟氨酸基、（较低）烷氧基亚胺基、肼基甲酰基、（较低）烷基氨基亚胺基，##STR2##但是R.sup.1和R.sup.2中只有一个是氢，从而产生药理学上可接受的H.sub.2-受体拮抗剂和抑制胃分泌活性的盐。
• S-Adenosylmethionine decarboxylase inhibitors: new aryl and heteroaryl analogs of methylglyoxal bis(guanylhydrazone)
  作者：Jaroslav Stanek、Giorgio Caravatti、Hans Georg Capraro、Pascal Furet、Helmut Mett、Peter Schneider、Urs Regenass

  DOI：10.1021/jm00053a007

  日期：1993.1

  A series of 3-acylbenzamidine (amidino)hydrazones 7a-h, the corresponding (hetero)aromatic congeners 7i-p, and 3,3'-bis-amidino-biaryls 25a-e were synthesized. The hydrazones 7a-p were prepared by conversion of the corresponding acyl nitriles 1a,c-di,n-p to the imido esters 3a,c-d,i and the amidines 5a,c-d,h-i, followed by a reaction with aminoguanidine, or vice versa. Similarly, the biaryl 3,3'-dinitriles 23a-e were converted, via the imino esters 24a-c or the imino thioesters 27d-e, to the diamidines 25a-e. These new products are conformationally constrained analogues of methylglyoxal bis(guanylhydrazone)(MGBG). They are up to 100 times more potent as inhibitors of rat liver S-adenosylmethionine decarboxylase (SAMDC) and generally low potent inhibitors of rat small intestine diamine oxidase (DAO) than MGBG. Some of these SAMDC inhibitors, eg., compounds 7a, 7e, 7i, 25a, and 25d, have shown antiproliferative effects against T24 human bladder carcinoma cells. These products, whose structure-activity relationships are discussed, are of interest as potential anticancer agents and drugs for the treatment of protozoal and Pneumocystis carinii infections.
• WAGNER G.; VOIGT B.; STEINBRUECK K., PHARMAZIE <PHAR-AT>, 1976, 31, NO 6, 354-360
  作者：WAGNER G.、 VOIGT B.、 STEINBRUECK K.

  DOI：——

  日期：——
• Arylhydrazone
  申请人：CIBA-GEIGY AG

  公开号：EP0335832B1

  公开（公告）日：1993-02-10