班酰氯 | 43040-76-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 班酰氯
• 中文别名: 5-二丁基氨基-1-萘磺酰氯；班酰氯(1%的正己烷溶液)
• 英文名称: dansyl chloride
• 英文别名: 5-dibutylamino-1-naphthalenesulfonyl chloride；5-(Dibutylamino)naphthalene-1-sulfonyl Chloride
• CAS: 43040-76-2
• 化学式: C₁₈H₂₄ClNO₂S
• mdl: MFCD00059134
• 分子量: 353.913
• InChiKey: PIZHBGYIKYGXBV-UHFFFAOYSA-N

物化性质

• 沸点：
  449.2±25.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  常规情况下不会分解，没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 海关编码：
  2921199090
• WGK Germany：
  3
• 危险品运输编号：
  3261

反应信息

• 作为反应物：
  描述：

  班酰氯 、 (2-methyl-1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)methanimine 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以14%的产率得到5-((3-[(((4-methylpiperazin-1-yl)imino)methyl)]-2-methyl-1H-indol-1-yl)sulfonyl)-N,N-dibutylnaphthalen-1-amine
  参考文献：
  名称：

  Design and synthesis of novel series of 5-HT6 receptor ligands having indole, a central aromatic core and 1-amino-4 methyl piperazine as a positive ionizable group

  摘要：

  The exclusive distribution of 5-HT6 receptor in the brain regions and high affinity for antipsychotic and antidepressant drugs makes 5-HT6 receptor a promising target in treatment of CNS diseases. Based on a pharmacophore model reported in the literature, we designed and synthesized a novel series of 5-HT6 receptor ligands having indole as a central aromatic core and 1-amino-4-methyl piperazine as positive ionizable group. Out of 32 compounds we have successfully identified 10 new compounds as 5-HT6 receptor antagonists. The structure-activity relationship (SAR) studies have been carried out by mapping the compounds with the 3D QSAR model. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.05.051

文献信息

• Aryl and heteroaryl compounds and methods to modulate coagulation
  申请人：——

  公开号：US20040110832A1

  公开（公告）日：2004-06-10

  This invention provides certain compounds, methods of their preparation, pharmaceutical compositions comprising the compounds, and their use in treating human or animal disorders. The compounds of the invention are useful as antagonists, or more preferably, partial antagonist of factor IX and thus, may be used to inhibit the intrinsic pathway of blood coagulation. The compounds are useful in a variety of applications including the management, treatment and/or control of diseases caused in part by the intrinsic clotting pathway utilizing factor IX. Such diseases or disease states include stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures, long periods of confinement, and acquired or inherited pro-coagulant states.

  本发明提供了某些化合物，其制备方法，包含这些化合物的制药组合物，以及它们在治疗人类或动物疾病中的应用。本发明的化合物可用作因子IX的拮抗剂，或更好地，作为部分拮抗剂，因此可用于抑制血液凝固的内在途径。这些化合物可用于多种应用，包括管理、治疗和/或控制由利用因子IX的内在凝血途径部分引起的疾病或疾病状态。这些疾病或疾病状态包括中风、心肌梗死、动脉瘤手术、与手术程序、长时间禁闭和获得性或遗传性促凝状态相关的深静脉血栓形成。
• Method for selective targeting of apoptotic cells and small molecule ligands used thereof
  申请人：Ziv Ilan

  公开号：US20060160901A1

  公开（公告）日：2006-07-20

  The invention provides novel methods for selective targeting of chemical compounds to cells undergoing a death process, in particular apoptosis, and to platelets undergoing activation during blood coagulation. The invention further provides compounds to be used in said methods for medical practice, for diagnostic and therapeutic purposes.

  本发明提供了一种新颖的方法，用于选择性地将化学化合物靶向于正在经历死亡过程的细胞，特别是凋亡过程，以及在血液凝固期间激活的血小板。本发明还提供了用于上述方法的化合物，用于医疗实践、诊断和治疗目的。
• Substituted indazoles, compositions containing them, method of production and use
  申请人：Damour Dominique

  公开号：US20050059722A1

  公开（公告）日：2005-03-17

  Substituted indazoles, compositions containing them, method of production and use. The present invention relates in particular to novel specific substituted indazoles exhibiting kinase-inhibiting activity, having therapeutic activity, in particular in oncology.

  本发明涉及替代吲唑化合物、含有它们的组合物、生产方法和用途。具体而言，本发明涉及一种新型具有激酶抑制活性的特异性替代吲唑化合物，具有治疗活性，特别是在肿瘤学方面。
• N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists
  申请人：E.R. SQUIBB & SONS, INC.

  公开号：EP0558258A1

  公开（公告）日：1993-09-01

  Compounds of the formula inhibit endothelin, wherein:    one of X and Y is N and the other is O; R is naphthyl or naphthyl substituted with R¹, R² and R³;    R¹, R² and R³ are each independently hydrogen; alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyl, aryl, or aralkyl, any of which may be substituted with Z¹, Z² and Z³; halo; hydroxyl; cyano; nitro; -C(O)H; -C(O)R⁶; CO₂H; -CO₂R⁶; -SH; -S(O)nR⁶; -S(O)m-OH; -S(O)m-OR⁶; -O-S(O)m-R⁶; -O-S(O)mOH; -O-S(O)m-OR⁶; -Z⁴-NR⁷R⁸; or -Z⁴-N(R¹¹)-Z⁵⁻NR⁹R¹⁰;    R⁴ and R⁵ are each independently hydrogen; alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyl, aryl, or aralkyl, any of which may be substituted with Z¹, Z² and Z³; halo; hydroxyl; cyano; nitro; -C(O)H; -C(O)R⁶; -CO₂H; -CO₂R⁶; -SH, -S(O)nR⁶; -S(O)m-OH; -S(O)m-OR⁶; -O-S(O)m-R⁶; -O-S(O)mOH; -O-S(O)m-OR⁶; -Z⁴-NR⁷R⁸; -Z⁴-N(R¹¹)-Z⁵⁻ NR⁹R¹⁰; or R⁴ and R⁵ together are alkylene or alkenylene (either of which may be substituted with Z¹, Z² and Z³), completing a 4- to 8-membered saturated, unsaturated or aromatic ring together with the carbon atoms to which they are attached.

  式中的化合物 抑制内皮素，其中 X 和 Y 中的一个是 N，另一个是 O；R 是萘基或被 R¹、R² 和 R³ 取代的萘基； R¹、R² 和 R³ 各自独立地为氢；烷基、烯基、炔基、烷氧基、环烷基、环烷基烷基、环烯基、环炔基烷基、芳基或芳烷基，其中任何一个可被 Z¹、Z² 和 Z³ 取代；卤素；羟基；氰基；硝基；-C(O)H；-C(O)R⁶；CO₂H；-CO₂R⁶；-SH；-S(O)nR⁶；-S(O)m-OH；-S(O)m-OR⁶；-O-S(O)m-R⁶；-O-S(O)mOH；-O-S(O)m-OR⁶；-⁴-NR⁷R⁸；或-Z⁴-N(R¹)-Z⁵-NR⁹R¹⁰； R⁴ 和 R⁵ 各自独立地为氢；烷基、烯基、炔基、烷氧基、环烷基、环烷基烷基、环烯基、环炔基烷基、芳基或芳烷基，其中任何一个可被 Z¹、Z² 和 Z³ 取代；卤素；羟基；氰基；硝基；-C(O)H；-C(O)R⁶；-CO₂H；-CO₂R⁶；-SH，-S(O)nR⁶；-S(O)m-OH；-S(O)m-OR⁶；-O-S(O)m-R⁶；-O-S(O)mOH；-O-S(O)m-OR⁶；-Z⁴-NR⁷R⁸；-Z⁴-N(R¹¹)-Z⁵- NR⁹R¹⁰；或 R⁴ 和 R⁵ 合在一起是亚烷基或烯基（其中任一可被 Z¹、Z² 和 Z³ 取代），与它们所连接的碳原子一起完成一个 4 至 8 元饱和、不饱和或芳香环。
• [EN] ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION<br/>[FR] COMPOSES ARYLE ET HETEROARYLE ET PROCEDES DE MODULATION DE LA COAGULATION
  申请人：TRANSTECH PHARMA INC

  公开号：WO2004014844A3

  公开（公告）日：2005-04-28