4-(4-甲基哌嗪-1-磺酰)苯胺 | 21623-68-7

• 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: 4-(4-甲基哌嗪-1-磺酰)苯胺
• 中文别名: 4-(4-甲基-哌嗪-1-磺酰基)苯胺
• 英文名称: 4-((4-methylpiperazin-1-yl)sulfonyl)aniline
• 英文别名: 4-(4-methyl-piperazine-1-sulfonyl)-aniline；4-[(4-Methyl-1-piperazinyl)sulfonyl]aniline；4-(4-methylpiperazin-1-yl)sulfonylaniline
• CAS: 21623-68-7
• 化学式: C₁₁H₁₇N₃O₂S
• mdl: MFCD03050283
• 分子量: 255.341
• InChiKey: YEKKOBZSGMPECJ-UHFFFAOYSA-N

物化性质

• 熔点：
  228-229°C
• 沸点：
  424.1±55.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  75
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2935009090
• 危险性防范说明：
  P233,P260,P261,P264,P271,P280,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  4-(4-甲基哌嗪-1-磺酰)苯胺 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 N-(4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-3-oxobenzo[d]isothiazole-2(3H)-carboxamide
  参考文献：
  名称：

  1,2-Benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors

  摘要：

  A novel series of 1,2-benzisothiazol-3-one derivatives was synthesized and their biological activities were evaluated for inhibiting caspase-3 and -7 activities, in which some of them showed low nanomolar potency against caspase-3 in vitro and significant protection against apoptosis in a camptothecin-induced Jurkat T cells system. Among the tested compounds, compound 5i exhibited the most potent caspase-3 inhibitory activity (IC50 = 1.15 nM). The molecular docking predicted the interactions and binding modes of the synthesized inhibitor in the caspase-3 active site. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.03.002
• 作为产物：
  描述：

  4-(4-氨基苯基磺酰基)哌嗪-1-羧酸叔丁酯 在 三乙酰氧基硼氢化钠 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 4-(4-甲基哌嗪-1-磺酰)苯胺
  参考文献：
  名称：

  [EN] CYCLIN-DEPENDENT KINASE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS
  [FR] COMPOSÉS INHIBITEURS DE KINASE DÉPENDANT DE LA CYCLINE POUR LE TRAITEMENT D'AFFECTIONS MÉDICALES

  摘要：

  这项发明涉及细胞周期抑制化合物领域，用于治疗涉及异常细胞增殖的疾病，包括用于医学治疗的选择性CDK2抑制剂及其药用盐和组合物。

  公开号：

  WO2021236650A1

文献信息

• Synergistic effects in Fe nanoparticles doped with ppm levels of (Pd + Ni). A new catalyst for sustainable nitro group reductions
  作者：Haobo Pang、Fabrice Gallou、Hyuntae Sohn、Jeffrey Camacho-Bunquin、Massimiliano Delferro、Bruce H. Lipshutz

  DOI：10.1039/c7gc02991h

  日期：——

  A remarkable synergistic effect has been uncovered between ppm levels of Pd and Ni embedded within iron nanoparticles that leads to mild and selective catalytic reductions of nitro-containing aromatics and heteroaromatics in water at room temperature. NaBH4 serves as the source of inexpensive hydride. Broad substrate scope is documented, along with several other features including: low catalyst loading

  在铁纳米颗粒中嵌入的Pd和Ni的ppm水平之间发现了显着的协同作用，这导致室温下水中的含硝基芳族化合物和杂芳族化合物温和选择性催化还原。NaBH 4用作廉价氢化物的来源。记录了广泛的基材范围以及其他一些功能，包括：催化剂用量低，产品中残留金属少，催化剂和反应介质的循环利用，凸显了这项新技术的绿色本质。
• 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE
  申请人：Player R. Mark

  公开号：US20080114007A1

  公开（公告）日：2008-05-15

  The invention addresses the current need for selective and potent protein tyrosine kinase inhibitors by providing potent inhibitors of c-fms kinase. The invention is directed to the novel compounds of Formula I: or a salt, stereoisomer, tautomer, crystalline, polymorph, amorphous, solvate, hydrate, ester, prodrug or metabolite form thereof, wherein A, Y, Z, R 101 and R 200 are described in the specification.

  本发明针对当前对选择性和强效蛋白酪氨酸激酶抑制剂的需求，提供对c-fms激酶的强效抑制剂。本发明涉及以下式I的新化合物： 或其盐、对映体、互变异构体、结晶、多晶型、无定形、溶剂化物、水合物、酯、前药或代谢物形式，其中A、Y、Z、R 101 和R 200 在说明书中有描述。
• [EN] HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE KINASE
  申请人：NUVATION BIO INC

  公开号：WO2021003314A1

  公开（公告）日：2021-01-07

  Heterocyclic compounds as CDK4 or CDK6 or other CDK inhibitors are provided. The compounds may find use as therapeutic agents for the treatment of diseases and may find particular use in oncology.

  提供异环化合物作为CDK4或CDK6或其他CDK抑制剂。这些化合物可能作为治疗疾病的治疗剂，特别是在肿瘤学方面可能具有特殊用途。
• Effect of Photodynamic Antibacterial Chemotherapy Combined with Antibiotics on Gram-Positive and Gram-Negative Bacteria
  作者：Yana Ilizirov、Andrei Formanovsky、Irina Mikhura、Yossi Paitan、Faina Nakonechny、Marina Nisnevitch

  DOI：10.3390/molecules23123152

  日期：——

  The well-known and rapidly growing phenomenon of bacterial resistance to antibiotics is caused by uncontrolled, excessive and inappropriate use of antibiotics. One of alternatives to antibiotics is Photodynamic Antibacterial Chemotherapy (PACT). In the present study, the effect of PACT using a photosensitizer Rose Bengal alone and in combination with antibiotics including methicillin and derivatives of sulfanilamide synthesized by us was tested against antibiotic-sensitive and antibiotic-resistant clinical isolates of Gram-positive S. aureus and Gram-negative P. aeruginosa. Antibiotic-sensitive and resistant strains of P. aeruginosa were eradicated by Rose Bengal under illumination and by sulfanilamide but were not inhibited by new sulfanilamide derivatives. No increase in sensitivity of P. aeruginosa cells to sulfanilamide was observed upon a combination of Rose Bengal and sulfanilamide under illumination. All tested S. aureus strains (MSSA and MRSA) were effectively inhibited by PACT. When treated with sub-MIC concentrations of Rose Bengal under illumination, the minimum inhibitory concentrations (MIC) of methicillin decreased significantly for MSSA and MRSA strains. In some cases, antibiotic sensitivity of resistant strains can be restored by combining antibiotics with PACT.

  广为人知且迅速增长的细菌对抗生素的抗性现象是由抗生素的无序、过度和不当使用引起的。抗生素的替代方案之一是光动力抗菌化疗（PACT）。在本研究中，使用光敏剂罗斯本加上抗生素（包括由我们合成的甲氧苄青霉素和磺胺类衍生物）的PACT对革兰氏阳性金黄色葡萄球菌和革兰氏阴性绿脓杆菌的抗生素敏感和抗生素耐药临床分离株进行了测试。罗斯本在照射下和磺胺类药物的作用下消灭了绿脓杆菌的抗生素敏感和耐药株，但新的磺胺类衍生物却无法抑制它们。在照射下，罗斯本与磺胺类药物的联合对绿脓杆菌细胞对磺胺类药物的敏感性没有增加。所有经过测试的金黄色葡萄球菌株（MSSA和MRSA）均被PACT有效抑制。在照射下用亚最小抑菌浓度的罗斯本处理时，对MSSA和MRSA株的甲氧苄青霉素的最小抑菌浓度（MIC）显著降低。在某些情况下，通过将抗生素与PACT结合可以恢复耐药株的抗生素敏感性。
• Neuropeptide Y antagonists
  申请人：Pfizer Inc.

  公开号：US06407120B1

  公开（公告）日：2002-06-18

  The compound is a neuropeptide Y antagonist and is effective in treating feeding disorders, cardiovascular diseases and other physiological disorders.

  这种化合物是一种神经肽Y拮抗剂，对治疗进食障碍、心血管疾病和其他生理紊乱有效。