3-sulfobenzylamine | 73631-52-4

• 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: 3-sulfobenzylamine
• 英文别名: 3-(Azaniumylmethyl)benzenesulfonate；3-(azaniumylmethyl)benzenesulfonate
• CAS: 73631-52-4
• 化学式: C₇H₉NO₃S
• mdl: MFCD18884021
• 分子量: 187.219
• InChiKey: RQCHLUZDNJBPHV-UHFFFAOYSA-N

物化性质

• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  88.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-sulfobenzylamine 在 盐酸 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 3-[[[9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylcarbamoyl)oxolan-2-yl]purin-6-yl]amino]methyl]benzenesulfonic acid
  参考文献：
  名称：

  Structure-Activity Relationships of N6-Benzyladenosine-5'-uronamides as A3-Selective Adenosine Agonists

  摘要：

  Adenosine analogues modified at the 5'-position as uronamides and/or as N-6-benzyl derivatives were synthesized. These derivatives were examined for affinity in radioligand binding assays at the newly discovered rat brain A(3) adenosine receptor and at rat brain A(1) and Az, receptors. 5'Uronamide substituents favored AS selectivity in the order N-methyl > N-ethyl approximate to unsubstituted carboxamide > N-cyclopropyl. 5'-(N-Methylcarboxamido)-N-6-benzyladenosine was 37-56-fold more selective for Ag receptors. Potency at A(3) receptors was enhanced upon substitution of the benzyl substituent with nitro and other groups. 5'-N-Methyluronamides and N-6-(3-substituted-benzyl) adenosines are optimal for potency and selectivity at A(3) receptors. A series of 3-(halobenzyl)5'-N-ethyluronamide derivatives showed the order of potency at A(1) and A(2)a receptors of I similar to Br > Cl > F. At A(3) receptors the 3-F derivative was weaker than the other halo derivatives. 5'-N-Methyl-N-6- (3-iodobenzyl) adenosine displayed a K-i value of 1.1 nM at A(3) receptors and selectivity versus A(1) and A(2a), receptors of 50-fold. A series of methoxybenzyl derivatives showed that a C-methoxy group best favored A(3) selectivity. A 4-sulfobenzyl derivative was a specific ligand at A(3) receptors of moderate potency. An aryl amino derivative was prepared as a probe for radioiodination and receptor cross-linking.

  DOI：

  10.1021/jm00031a014
• 作为产物：
  描述：

  4-溴苄胺盐酸盐 在 palladium on activated charcoal sodium hydroxide 、 硫酸 、 氢气 作用下， 反应 2.0h， 生成 3-sulfobenzylamine
  参考文献：
  名称：

  Structure-Activity Relationships of N6-Benzyladenosine-5'-uronamides as A3-Selective Adenosine Agonists

  摘要：

  Adenosine analogues modified at the 5'-position as uronamides and/or as N-6-benzyl derivatives were synthesized. These derivatives were examined for affinity in radioligand binding assays at the newly discovered rat brain A(3) adenosine receptor and at rat brain A(1) and Az, receptors. 5'Uronamide substituents favored AS selectivity in the order N-methyl > N-ethyl approximate to unsubstituted carboxamide > N-cyclopropyl. 5'-(N-Methylcarboxamido)-N-6-benzyladenosine was 37-56-fold more selective for Ag receptors. Potency at A(3) receptors was enhanced upon substitution of the benzyl substituent with nitro and other groups. 5'-N-Methyluronamides and N-6-(3-substituted-benzyl) adenosines are optimal for potency and selectivity at A(3) receptors. A series of 3-(halobenzyl)5'-N-ethyluronamide derivatives showed the order of potency at A(1) and A(2)a receptors of I similar to Br > Cl > F. At A(3) receptors the 3-F derivative was weaker than the other halo derivatives. 5'-N-Methyl-N-6- (3-iodobenzyl) adenosine displayed a K-i value of 1.1 nM at A(3) receptors and selectivity versus A(1) and A(2a), receptors of 50-fold. A series of methoxybenzyl derivatives showed that a C-methoxy group best favored A(3) selectivity. A 4-sulfobenzyl derivative was a specific ligand at A(3) receptors of moderate potency. An aryl amino derivative was prepared as a probe for radioiodination and receptor cross-linking.

  DOI：

  10.1021/jm00031a014

文献信息

• Monoazo compounds and method for dyeing or printing fiber materials using the same
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0719840A1

  公开（公告）日：1996-07-03

  A monoazo compound of the formula (I): wherein D represents a phenyl or naphthyl group; A represents a group of the formula: in which R1 represents a methyl group etc., R2 represents a hydroxyl group or an amino group, R3 represents a hydrogen atom, etc.; or A represents a group of the formula: in which W represents an alkylene group, R4 represents a lower alkyl group, R5 represents a hydrogen atom, a halogen atom, etc.;    R6 and R7 represent a hydrogen atom or a straight chain or branched chain alkyl group    R8 and R9 represent a hydrogen atom, an alkyl group, a cycloalkyl group, a phenyl group or a naphthyl group; n is 2, 3 or 4; Y represents -CH=CH2 or -CH2CH2Z in which Z represents a group removable by the action of an alkali; or a salt thereof, is suitable for dyeing or printing materials having a hydroxy group and/or an amide group.

  式 (I) 的单偶氮化合物： 其中 D 代表苯基或萘基； A 代表式中的一个基团 其中 R1 代表甲基等，R2 代表羟基或氨基，R3 代表氢原子等； 或 A 代表式中的一个基团： 其中 W 代表亚烷基，R4 代表低级烷基，R5 代表氢原子、卤素原子等； R6 和 R7 代表氢原子或直链或支链烷基 R8 和 R9 代表氢原子、烷基、环烷基、苯基或萘基； n 是 2、3 或 4； Y 代表 -CH=CH2 或 -CH2CH2Z，其中 Z 代表在碱作用下可去除的基团； 或其盐，适用于具有羟基和/或酰胺基的染色或印花材料。
• Acid dyes
  申请人：Clariant International Ltd.

  公开号：EP2418256A1

  公开（公告）日：2012-02-15

  The invention relates to compounds of formula (I) R0 signifies a C1 to C4 alkyl group, R1 signifies CN or CONH2, R2 signifies a secondary or tertiary amino group, R3 signifies a secondary or tertiary amino group, BR is a bridge of the formula -A-B-A- wherein A is substituted phenyl or substituted naphthyl or unsubstituted phenyl or unsubstituted naphthyl, and B is a bivalent group of the formula -SO2-, -CONH-, -HNCO-, -SO2NH- or -HNSO2-, with the proviso that the compounds of formula (I) bear at least one anionic substituent.

  本发明涉及式 (I) 的化合物 R0 表示 C1 至 C4 烷基、 R1 表示 CN 或 CONH2、 R2 表示仲或叔氨基、 R3 表示仲或叔氨基、 BR 是式 -A-B-A- 的桥，其中 A 是取代苯基或取代萘基或未取代苯基或未取代萘基，以及 B是式-SO2-、-CONH-、-HNCO-、-SO2NH-或-HNSO2-的二价基团、 但式（I）化合物至少带有一个阴离子取代基。
• Inhibiting corrosion in a downhole environment
  申请人：HALLIBURTON ENERGY SERVICES, INC.

  公开号：US10544356B2

  公开（公告）日：2020-01-28

  A method and system for inhibiting corrosion of a surface in a well including introducing a composition into the well, the composition comprising an acidic medium and Dihydrogen (ethyl) [4-[4-[ethyl(3-sulphonatobenzyl)amino] (4-hydroxy-2-sulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium), contacting the metal surface with the composition, and inhibiting corrosion of the metal surface with the Dihydrogen (ethyl)[4-[4-[ethyl(3-sulphonatobenzyl)amino](4-hydroxy-2-sulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene] (3-sulphonatobenzyl)ammonium).

  一种抑制井中表面腐蚀的方法和系统，包括将一种组合物引入井中，该组合物包括酸性介质和二氢（乙基）[4-[4-[乙基（3-磺酸基苄基）氨基]（4-羟基-2-磺酸基苯甲亚基]环己-2、二氢（乙基）[4-[4-[乙基（3-磺酸基苄基）氨基](4-羟基-2-磺酸基苯甲亚基]环己-2,5-二烯-1-亚基](3-磺酸基苄基)铵]，将组合物与金属表面接触，并用二氢（乙基）[4-[4-[乙基（3-磺酸基苄基）氨基](4-羟基-2-磺酸基苯甲亚基]环己-2,5-二烯-1-亚基](3-磺酸基苄基)铵]抑制金属表面的腐蚀。
• Dental composition and method for bleaching teeth
  申请人：DEMETRON RESEARCH CORP.

  公开号：EP0516872B1

  公开（公告）日：1995-04-05
• Farbstoffe, Verfahren zu deren Herstellung und deren Verwendung
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1041121B1

  公开（公告）日：2003-08-27