N-氯甲基-4-硝基邻苯二甲酰亚胺[HPLC标记用] | 54455-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: N-氯甲基-4-硝基邻苯二甲酰亚胺[HPLC标记用]
• 中文别名: N-氯甲基-4-硝基邻苯二甲酰亚胺[HPLC标记用],4-硝基-N-氯甲基邻苯二甲酰亚胺
• 英文名称: 2-chloromethyl-5-nitro-isoindole-1,3-dione
• 英文别名: N-Chloromethyl-4-nitrophthalimide；N-Chlormethyl-4-nitrophthalimid；N-(Chloromethyl)-4-nitrophthalimide；2-(chloromethyl)-5-nitroisoindole-1,3-dione
• CAS: 54455-37-7
• 化学式: C₉H₅ClN₂O₄
• mdl: MFCD00059889
• 分子量: 240.603
• InChiKey: YXMUGXUCSVUONH-UHFFFAOYSA-N

物化性质

• 熔点：
  153.0 ~157.0 °C
• 沸点：
  397.4±27.0 °C(Predicted)
• 密度：
  1.638±0.06 g/cm3(Predicted)
• 溶解度：
  在热甲醇中几乎透明

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  83.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-氯甲基-4-硝基邻苯二甲酰亚胺[HPLC标记用] 在 甲酸 、 palladium on activated charcoal 、 甲酸铵 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 17.5h， 生成 N-[1,3-dioxo-2-(piperazin-1-ylmethyl)isoindol-5-yl]-4-methylbenzenesulfonamide
  参考文献：
  名称：

  A new series of N2-substituted-5-(p-toluenesulfonylamino)phthalimide analogues as α-glucosidase inhibitors

  摘要：

  Several members of a new family of non-sugar-type alpha-glycosidase inhibitors, bearing a 5-(p-toluenesulfonylamino)phthalimide moiety and various substituent at the N2 position, were synthesized and their activities were investigated. The newly synthesized compounds displayed different inhibition profile towards yeast alpha-glycosidase and rat intestinal alpha-glycosidase. Almost all the compounds had strong inhibitory activities against yeast alpha-glycosidase. Regarding rat intestinal alpha-glycosidase, only analogs with N2-aromatic substituents displayed varying degrees of inhibitory activities on rat intestinal maltase and lactase and nearly all compounds showed no inhibition against rat intestinal alpha-amylase. Structure-activity relationship studies indicated that 5-(p-toluenesulfonylamino)phthalimide moiety is a favorable scaffold to exert the alpha-glucosidase inhibitory activity and substituents at the N2 position have considerable influence on the efficacy of the inhibition activities. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.011
• 作为产物：
  描述：

  N-hydroxymethyl-3-nitrophthalimide 在 盐酸 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以71%的产率得到N-氯甲基-4-硝基邻苯二甲酰亚胺[HPLC标记用]
  参考文献：
  名称：

  A new series of N2-substituted-5-(p-toluenesulfonylamino)phthalimide analogues as α-glucosidase inhibitors

  摘要：

  Several members of a new family of non-sugar-type alpha-glycosidase inhibitors, bearing a 5-(p-toluenesulfonylamino)phthalimide moiety and various substituent at the N2 position, were synthesized and their activities were investigated. The newly synthesized compounds displayed different inhibition profile towards yeast alpha-glycosidase and rat intestinal alpha-glycosidase. Almost all the compounds had strong inhibitory activities against yeast alpha-glycosidase. Regarding rat intestinal alpha-glycosidase, only analogs with N2-aromatic substituents displayed varying degrees of inhibitory activities on rat intestinal maltase and lactase and nearly all compounds showed no inhibition against rat intestinal alpha-amylase. Structure-activity relationship studies indicated that 5-(p-toluenesulfonylamino)phthalimide moiety is a favorable scaffold to exert the alpha-glucosidase inhibitory activity and substituents at the N2 position have considerable influence on the efficacy of the inhibition activities. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.011

文献信息

• Pyridine derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05246948A1

  公开（公告）日：1993-09-21

  There is disclosed a pharmaceutical composition for providing antiinflammatory, antipyretic, analgesic, antiallergic, immunosuppressing or immunomodulating activity which comprises a pyridine derivative of the formula (I): ##STR1## wherein R is an optionally substituted pyridine ring, X is a oxygen atom or --S(O)n--, wherein n is 0, 1 or 2, A is a bivalent C.sub.1-15 hydrocarbon residue whose branched moiety may have a substituent, Y is an oxygen or sulfur atom, R.sub.3 is a hydrogen atom or an optionally substituted hydrocarbon residue, R.sub.4 is an optionally substituted hydrocarbon residue or an optionally substituted monocyclic or bicyclic heterocyclic group, R.sub.3 and R.sub.4 may be joined together with the carbamoyl group or the thiocarbamoyl group to which they are attached to form an optionally substituted heterocyclic group, or R.sub.3 or R.sub.4 may be independently attached to A to form a ring, or a pharmaceutically acceptable salt or solvate thereof, and a pharmaceutically acceptable carrier or diluent.

  揭示了一种用于提供抗炎、退烧、镇痛、抗过敏、免疫抑制或免疫调节活性的药物组合物，其包括下式的吡啶衍生物（I）：其中R是一个可选取代的吡啶环，X是一个氧原子或--S（O）n--，其中n为0、1或2，A是一种二价的C.sub.1-15烃残基，其支链可能有取代基，Y是氧或硫原子，R.sub.3是氢原子或一个可选取代的烃残基，R.sub.4是一个可选取代的烃残基或一个可选取代的单环或双环杂环基，R.sub.3和R.sub.4可以与它们附着的氨甲酰基或硫氨甲酰基结合在一起形成一个可选取代的杂环基，或者R.sub.3或R.sub.4可以独立地连接到A上形成一个环，或其药学上可接受的盐或溶剂，以及药学上可接受的载体或稀释剂。
• INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESING BODY ODOR
  申请人：Kao Corporation

  公开号：EP1553411A1

  公开（公告）日：2005-07-13

  An indicator material for assessing body odor of the present invention comprises at least one member selected from the group consisting of a substance (A) which is a β-hydroxycarboxylic acid compound represented by the formula (1), a substance (B) which is a derivative of the compound represented by the formula (1), a substance (C) which is an alcohol compound having a mercapto group at the 3-position represented by the formula (2),and a substance (D) which is a derivative of the compound represented by the formula (2). The present invention also provides a method of producing the compound represented by the formula (2) by incubating perspiration originated from a human in an environment with an oxygen concentration of 10 v/v% or less. The present invention also provides a kit for assessing body odor of a human, wherein the kit for assessing body odor of a human includes a coloration reagent which reacts with β-hydroxycarboxylic acid originated from perspiration of a human. wherein R1 is an alkyl having 1 to 4 carbons; R2 is a hydrogen atom or an alkyl having 1 to 4 carbons, and the total number of carbons in the formula (1) is 10 or less; wherein R3 is a hydrogen atom or methyl group; R4 is an alkyl group having 1 to 3 carbons; and R5 is a hydrogen atom or a methyl group, the total number of carbons is 8 or less.

  本发明的一种用于评估体味的指示剂材料包括至少一种选自以下组成的成员：一种物质（A），它是β-羟基羧酸化合物，由式（1）表示；一种物质（B），它是由式（1）表示的化合物的衍生物；一种物质（C），它是由式（2）表示的在3-位上具有巯基的醇化合物；以及一种物质（D），它是由式（2）表示的化合物的衍生物。本发明还提供了一种通过在氧气浓度为 10 v/v% 或更低的环境中培养人的汗液来生产式（2）所代表的化合物的方法。本发明还提供了一种用于评估人的体味的试剂盒，其中用于评估人的体味的试剂盒包括一种与源自人的汗液的β-羟基羧酸反应的着色试剂。 其中 R1 是具有 1 至 4 个碳原子的烷基；R2 是氢原子或具有 1 至 4 个碳原子的烷基，且式（1）中的碳原子总数为 10 或更少； 其中 R3 是氢原子或甲基；R4 是具有 1 至 3 个碳原子的烷基；R5 是氢原子或甲基，碳原子总数为 8 或更少。
• POLISHING COMPOSITION AND POLISHING METHOD USING THE SAME
  申请人：FUJIMI INCORPORATED

  公开号：EP2237311A1

  公开（公告）日：2010-10-06

  A polishing composition according to a first aspect of the present invention contains a nitrogen-containing compound and abrasive grains, and the pH of the composition is in the range of 1 to 7. The nitrogen-containing compound in the polishing composition preferably has a structure expressed by a formula: R1-N(-R2)-R3 in which R1, R2, and R3 each represent an alkyl group with or without a characteristic group, two of R1 to R3 may form a part of a heterocycle, and two of R1 to R3 may be identical and form a part of a heterocycle with the remaining one, Alternatively, the nitrogen-containing compound is preferably selected from a group consisting of a carboxybetaine type ampholytic surfactant, a sulfobetaine type ampholytic surfactant, an imidazoline type ampholytic surfactant, and an amine oxide type ampholytic surfactant. A polishing composition according to a second aspect of the present invention contains a water-soluble polymer and abrasive grains, and the pH of the composition is in the range of 1 to 8.

  根据本发明第一方面的抛光组合物含有含氮化合物和磨粒，组合物的 pH 值在 1 至 7 之间。抛光组合物中的含氮化合物最好具有由式表示的结构：R1-N(-R2)-R3，其中 R1、R2 和 R3 各代表一个带或不带特征基团的烷基，R1 至 R3 中的两个可构成杂环的一部分，R1 至 R3 中的两个可相同并与其余一个构成杂环的一部分，或者，R1 至 R3 中的两个可相同并与其余一个构成杂环的一部分，或者，R1 至 R3 中的两个可相同并与其余一个构成杂环的一部分、含氮化合物最好选自由羧基甜菜碱型两性表面活性剂、磺基甜菜碱型两性表面活性剂、咪唑啉型两性表面活性剂和氧化胺型两性表面活性剂组成的组。根据本发明第二方面的抛光组合物含有水溶性聚合物和磨粒，组合物的 pH 值在 1 至 8 之间。
• Locally active "soft" antiandrogens
  申请人：Yale University

  公开号：EP2532648A1

  公开（公告）日：2012-12-12

  The present invention relates to antiandrogenic compounds which may be administered for the treatment of androgen excess in the skin and by way of consequence, the treatment of acne, baldness or hirsuitism in subject or patient. These compounds have the general chemical structure I, II, III or IV: or

  本发明涉及抗雄激素化合物，可用于治疗皮肤中雄激素过多，从而治疗受试者或患者的痤疮、秃头或雌激素过多症。这些化合物具有一般化学结构 I、II、III 或 IV： 或
• Polishing composition and polishing method using the same
  申请人：Mizuno Takahiro

  公开号：US10144849B2

  公开（公告）日：2018-12-04

  A polishing composition contains a nitrogen-containing compound and abrasive grains, and the pH of the composition is in the range of 1 to 7. The nitrogen-containing compound in the polishing composition preferably has a structure expressed by a formula: R1—N(—R2)—R3 in which R1, R2, and R3 each represent an alkyl group with or without a characteristic group, two of R1 to R3 may form a part of a heterocycle, and two of R1 to R3 may be identical and form a part of a heterocycle with the remaining one. Alternatively, the nitrogen-containing compound is preferably selected from a group consisting of a carboxybetaine type ampholytic surfactant, a sulfobetaine type ampholytic surfactant, an imidazoline type ampholytic surfactant, and an amine oxide type ampholytic surfactant. A polishing composition may contain a water-soluble polymer and abrasive grains, and the pH of the composition is in the range of 1 to 8.

  一种抛光组合物含有一种含氮化合物和磨粒，组合物的 pH 值在 1 至 7 之间。抛光组合物中的含氮化合物最好具有由式表示的结构：R1-N(-R2)-R3，其中 R1、R2 和 R3 各代表一个带或不带特征基团的烷基，R1 至 R3 中的两个可构成杂环的一部分，R1 至 R3 中的两个可相同并与其余一个构成杂环的一部分。另外，含氮化合物最好选自羧基甜菜碱型两性表面活性剂、磺基甜菜碱型两性表面活性剂、咪唑啉型两性表面活性剂和氧化胺型两性表面活性剂组成的组。抛光组合物可包含水溶性聚合物和磨粒，组合物的 pH 值范围为 1 至 8。