3-磺基苯甲醛 | 98-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-磺基苯甲醛
• 中文别名: 苯磺酸,3-甲酰基
• 英文名称: benzaldehyde-3-sulfonic acid
• 英文别名: 3-formylbenzene-1-sulfonic acid；benzaldehyde 3-sulfonic acid；3-formylbenzenesulfonic acid；3-sulphobenzaldehyde；3-formyl-benzenesulfonic acid；3-Formyl-benzolsulfonsaeure
• CAS: 98-45-3
• 化学式: C₇H₆O₄S
• 分子量: 186.188
• InChiKey: MRXZEDMLQMDMGB-UHFFFAOYSA-N

物化性质

• 密度：
  1.503±0.06 g/cm3(Predicted)
• 溶解度：
  甲醇（微溶）、水（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-磺基苯甲醛 在 硝酸 作用下， 生成 3-硫苯甲酸
  参考文献：
  名称：

  Kafka, Chemische Berichte, 1891, vol. 24, p. 796

  摘要：

  DOI：
• 作为产物：
  描述：

  苯甲醛 在 发烟硫酸 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以155 g的产率得到3-磺基苯甲醛
  参考文献：
  名称：

  [EN] POLYMORPHIC FORMS OF BELINOSTAT AND PROCESSES FOR PREPARATION THEREOF
  [FR] FORMES POLYMORPHIQUES DU BELINOSTAT ET LEURS PROCÉDÉS DE PRÉPARATION

  摘要：

  本发明涉及Belinostat的多晶型形式。该发明还涉及制备Belinostat多晶型形式的过程。本发明还涉及Belinostat多晶型形式的药物组合物及其在治疗需要的患者中的使用。

  公开号：

  WO2018020406A1

文献信息

• Synthesis and Antistaphylococcal Activity of<i>N</i>-Substituted-1<i>H</i>-benzimidazole-sulphonamides
  作者：M. Orhan Püsküllü、Sulhiye Yıldız、Hakan Göker

  DOI：10.1002/ardp.200900199

  日期：2009.11.19

  evaluated for antibacterial activity against Staphylococcus aureus and methicillin‐resistant S. aureus (MRSA). Certain compounds inhibit bacterial growth with low MIC (μg/mL) values. The most active compounds 30, 31, and 32 have the lowest MIC values with 0.39 to 0.19 μg/mL. Among the compounds having sulfonamido moities, 16, 23, and 24 exhibited the strongest antibacterial activity with 1.56 μg/mL MIC values

  合成了一系列 N-取代-1H-苯并咪唑-5(6)-磺酰胺和 3-(5,6-二氯-1H-苯并咪唑-2-基)-N-取代苯磺酰胺并评估其对金黄色葡萄球菌的抗菌活性和耐甲氧西林金黄色葡萄球菌 (MRSA)。某些化合物以低 MIC (μg/mL) 值抑制细菌生长。活性最强的化合物 30、31 和 32 的 MIC 值最低，为 0.39 至 0.19 μg/mL。在具有磺酰氨基部分的化合物中，16、23 和 24 表现出最强的抗菌活性，MIC 值为 1.56 μg/mL。
• Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors
  申请人：——

  公开号：US20040077726A1

  公开（公告）日：2004-04-22

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the following formula: (I) A is an aryl group; Q1 is a covalent bond or an aryl leader group; J is a sulfonamide linkage selected from: —S (═O)2NR1— and —NR1S(═O)2—; R1 is a sulfonamido substituent; and, Q2 is an acid leader group; with the proviso that if J is —S(═O)2NR1—, then Q1 is an aryl leader group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psoriasis.

  这项发明涉及抑制HDAC活性的某些活性碳酸酯化合物，其化学式如下：(I) A为芳基；Q1为共价键或芳基引导基团；J为从以下选取的磺胺酰胺连接：—S(═O)2NR1—和—NR1S(═O)2—；R1为磺胺基取代基；Q2为酸引导基团；但条件是如果J为—S(═O)2NR1—，则Q1为芳基引导基团；以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这种化合物的药物组合物，以及在体内外使用这种化合物和组合物来抑制HDAC，例如抑制增殖性疾病，如癌症和牛皮癣。
• [EN] FIBRE REACTIVE FORMAZAN DYES, THEIR PREPARATION AND THEIR USE<br/>[FR] COLORANTS FORMAZAN RÉACTIFS AUX FIBRES, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH

  公开号：WO2017129297A1

  公开（公告）日：2017-08-03

  A reactive dye of formula (1), wherein Z1 and Z2 are each independently of the other vinyl or a radical -CH2-CH2-Y and Y is a group removable under alkaline conditions, n is the number 1, 2, 3 or 4, m is the number 2, 3 or 4, q is the number 0 or 1, and the substituents -(SO3H)n, -SO2-Z1 and -NH-CO-(CH2)m-SO2-Z2 are bound to the benzene rings A, B and/or C, said benzene rings A, B and/or C are optionally further substituted by at least one substituent selected from the group C1-C4alkyl, C1-C4alkoxy and halogen, is suitable for dyeing and printing cellulosic or amide-group-containing fibre materials.

  一种式（1）的响应性染料，其中Z1和Z2分别独立地为乙烯基或基团-CH2-CH2-Y，Y是在碱性条件下可移除的基团，n为1、2、3或4，m为2、3或4，q为0或1，取代基-(SO3H)n、-SO2-Z1和-NH-CO-(CH2)m-SO2-Z2与苯环A、B和/或C结合，所述苯环A、B和/或C可以进一步被来自C1-C4烷基、C1-C4烷氧基和卤素的至少一种取代基所取代，适用于染色和印刷纤维素或含酰胺基团的纤维材料。
• [EN] CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS<br/>[FR] COMPOSES D'ACIDE CARBAMIQUE COMPRENANT UN CHAINON DE PIPERAZINE TELS QUE LES INHIBITEURS HDAC
  申请人：PROLIFIX LTD

  公开号：WO2003082288A1

  公开（公告）日：2003-10-09

  This invention pertains to certain carbamic acid compounds which inhibit HDAC (histone deacetylase) activity of the following formula:[Insert formula]wherein: Cy is independently a cyclyl group; Q1 is independently a covalent bond or cyclyl leader group; the piperazin-1,4-diyl group is optionally substituted; J1 is independently a covalent bond or -C(=O)- ; J2 is independently -C(=O)- or -S(=O)2- ; Q2 is independently an acid leader group; wherein: Cy is independently: C3-20carbocyclyl, C3-20heterocyclyl, or C5-20aryl; and is optionally substituted; Q1 is independently: a covalent bond; C1-7alkylene; or C1-7alkylene-X-C1-7alkylene, -X-C1-7alkylene, or C1-7alkylene-X-, wherein X is -O- or -S-; and is optionally substituted; Q2 is independently: C4-8alkylene; and is optionally substituted; and has a backbone length of at least 4 atoms; or: Q2 is independently: C5-20arylene; C5-20arylene-C1-7alkylene; C1-7alkylene-C5-20arylene; or, C1-7alkylene-C5-20arylene-C1-7alkylene; and is optionally substituted; and has a backbone length of at least 4 atoms; or a pharmaceutically acceptable salt, solvate, amide, ester, ether, chemically protected form, or prodrug thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and in the treatment of conditions mediated by HDAC, cancer, proliferative conditions, psoriasis, etc.

  本发明涉及一些碳酰胺化合物，其抑制以下式的HDAC（组蛋白去乙酰化酶）活性：[插入式]其中：Cy独立地是环烷基团；Q1独立地是共价键或环烷基团；哌嗪-1,4-二基基团可选地被取代；J1独立地是共价键或-C（=O）-；J2独立地是-C（=O）-或-S（=O）2-；Q2独立地是酸基团；其中：Cy独立地是C3-20碳环烷基、C3-20杂环烷基或C5-20芳基；并可选地被取代；Q1独立地是：共价键；C1-7烷基；或C1-7烷基-X-C1-7烷基、-X-C1-7烷基或C1-7烷基-X-，其中X是-O-或-S-；并可选地被取代；Q2独立地是：C4-8烷基；并可选地被取代；并且具有至少4个原子的骨架长度；或：Q2独立地是：C5-20芳基；C5-20芳基-C1-7烷基；C1-7烷基-C5-20芳基；或C1-7烷基-C5-20芳基-C1-7烷基；并可选地被取代；并且具有至少4个原子的骨架长度；或其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式或前药。本发明还涉及包含这种化合物的制药组合物，以及这种化合物和组合物的使用，无论是体外还是体内，用于抑制HDAC，并用于治疗由HDAC介导的疾病，如癌症、增殖性疾病、牛皮癣等。
• [EN] CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS<br/>[FR] COMPOSES D'ACIDE CARBAMIQUE COMPRENANT UNE LIAISON SULFONAMIDE EN TANT QU'INHIBITEURS DE HDAC
  申请人：PROLIFIX LTD

  公开号：WO2002030879A2

  公开（公告）日：2002-04-18

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the following formula: (I) A is an aryl group; Q1 is a covalent bond or an aryl leader group; J is a sulfonamide linkage selected from: -S(=O)¿2NR?1- and -NR1S(=O)2-; R1 is a sulfonamido substituent; and, Q2 is an acid leader group; with the proviso that if J is -S(=O)¿2NR?1-, then Q1 is an aryl leader group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psoriasis.

  本发明涉及某些活性碳酰胺类化合物，其抑制HDAC活性，并具有以下式子：（I）其中，A是芳基基团；Q1是共价键或芳基领导基团；J是从-S（=O）2NR1-和-NR1S（=O）2-中选择的磺酰胺键；R1是磺酰胺基取代基；Q2是酸领导基团；前提是如果J是-S（=O）2NR1-，则Q1是芳基领导基团；以及其药学上可接受的盐，溶剂化物，酰胺，酯，醚，化学保护形式和前药。本发明还涉及包含此类化合物的药物组合物以及使用这些化合物和组合物，无论是体外还是体内，来抑制HDAC，例如抑制增殖性疾病，如癌症和牛皮癣。