3(1,3-二氧-1,3-二氢-2H-异吲哚-2-基)丙烷-1-磺酰氯 | 62605-69-0

• 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: 3(1,3-二氧-1,3-二氢-2H-异吲哚-2-基)丙烷-1-磺酰氯
• 英文名称: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propane-1-sulfonyl chloride
• 英文别名: 3-(1,3-dioxoisoindolin-2-yl)propane-1-sulfonyl chloride；3-Phthalimidopropan-sulfonsaeurechlorid；3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propane-1-sulfonyl chloride；3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonyl chloride
• CAS: 62605-69-0
• 化学式: C₁₁H₁₀ClNO₄S
• mdl: MFCD09864157
• 分子量: 287.724
• InChiKey: RDXUBBUYWZAROQ-UHFFFAOYSA-N

物化性质

• 沸点：
  432.3±28.0 °C(Predicted)
• 密度：
  1.521±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  79.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3(1,3-二氧-1,3-二氢-2H-异吲哚-2-基)丙烷-1-磺酰氯 在 吡啶 、 chloro(2-dicyclohexylphosphino-2’,6’-diisopropoxy-1,1’-biphenyl)[2-(2’-amino-1,1‘-biphenyl)]palladium(II) 2nd generation 、 caesium carbonate 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 21.0h， 生成 methyl 4-(5-(3-(1,3-dioxoisoindolin-2-yl)propylsulfonamido)-6-methoxypyridin-3-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate
  参考文献：
  名称：

  Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase δ

  摘要：

  A macrocyclization approach has been explored on a series of benzoxazine phosphoinositide 3-kinase delta inhibitors, resulting in compounds with improved potency, permeability, and in vivo clearance while maintaining good solubility. The thermodynamics of binding was explored via surface plasmon resonance, and the binding of lead macrocycle 19 was found to be almost exclusively entropically driven compared with progenitor 18, which demonstrated both enthalpic and entropic contributions. The pharmacokinetics of macrocycle 19 was also explored in vivo, where it showed reduced clearance when compared with the progenitor 18. This work adds to the growing body of evidence that macrocyclization could provide an alternative and complementary approach to the design of small-molecule inhibitors, with the potential to deliver differentiated properties.

  DOI：

  10.1021/acsmedchemlett.0c00061
• 作为产物：
  描述：

  S-(3-phthalimido-propyl)-isothiourea; acetate 在 盐酸 、 sodium perchlorate 作用下， 以 水 为溶剂， 反应 0.58h， 生成 3(1,3-二氧-1,3-二氢-2H-异吲哚-2-基)丙烷-1-磺酰氯
  参考文献：
  名称：

  [EN] IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL, AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES
  [FR] SULFONAMIDES D'IMIDAZOQUINOLINYLE, D'IMIDAZOPYRIDINYLE ET D'IMIDAZONAPHTYRIDINYLE

  摘要：

  公开号：

  WO2005066169A3

文献信息

• [EN] SUBSTITUTED CYCLOHEXYLAMINE COMPOUNDS<br/>[FR] COMPOSÉS DE CYCLOHEXYLAMINE SUBSTITUÉS
  申请人：EPIZYME INC

  公开号：WO2016040502A1

  公开（公告）日：2016-03-17

  The present disclosure provides substituted cyclohexylamine compounds having Formula (I): and the pharmaceutically acceptable salts and solvates thereof, wherein R1, R2a, R2b, R3a, R3b, R4, R5, and R7 are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.

  本公开提供具有以下式（I）的取代环己胺化合物及其药学上可接受的盐和溶剂，其中R1、R2a、R2b、R3a、R3b、R4、R5和R7如规范中所述。本公开还涉及使用式I的化合物治疗对SMYD蛋白的阻断具有响应的疾病，如SMYD3或SMYD2。本公开的化合物特别适用于治疗癌症。
• Substituted Cyclohexylamine Compounds
  申请人：EPIZYME, INC.

  公开号：US20200123142A1

  公开（公告）日：2020-04-23

  The present disclosure provides substituted cyclohexylamine compounds having Formula (I): and the pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2a , R 2b , R 3a , R 3b , R 4 , R 5 , and R 7 are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.

  本公开提供具有化学式（I）的替代环己胺化合物及其药用可接受的盐和溶剂化合物，其中R1、R2a、R2b、R3a、R3b、R4、R5和R7如规范中所定义。本公开还涉及使用化合物I的方法来治疗对SMYD蛋白如SMYD3或SMYD2阻断产生反应的疾病。本公开的化合物特别适用于治疗癌症。
• MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE
  申请人：Jandeleit Bernd

  公开号：US20090069419A1

  公开（公告）日：2009-03-12

  Masked carboxylate neopentyl sulfonyl ester prodrugs of acamprosate, pharmaceutical compositions comprising such prodrugs, and methods of using such prodrugs and compositions thereof for treating diseases are disclosed. In particular, acamprosate prodrugs exhibiting enhanced oral bioavailability and methods of using acamprosate prodrugs to treat neurodegenerative disorders, psychotic disorders, mood disorders, anxiety disorders, somatoform disorders, movement disorders, substance abuse disorders, binge eating disorder, cortical spreading depression related disorders, tinnitus, sleeping disorders, multiple sclerosis, and pain are disclosed.

  掩蔽羧酸新戊磺酰酯丙戊酸酯前药，包含此类前药的药物组合物，以及使用此类前药和组合物治疗疾病的方法被披露。具体来说，披露了表现出增强口服生物利用度的丙戊酸酯前药和使用丙戊酸酯前药治疗神经退行性疾病、精神疾病、情绪障碍、焦虑障碍、躯体形式障碍、运动障碍、物质滥用障碍、暴饮暴食障碍、皮层扩散性抑郁相关障碍、耳鸣、睡眠障碍、多发性硬化症和疼痛的方法。
• [EN] SUBSTITUTED PIPERIDINE COMPOUNDS<br/>[FR] COMPOSÉS PIPÉRIDINES SUBSTITUÉS
  申请人：EPIZYME INC

  公开号：WO2016040515A1

  公开（公告）日：2016-03-17

  The present disclosure provides substituted piperidine compounds having Formula (I), and the pharmaceutically acceptable salts and solvates thereof, wherein R1, B, X, and Z are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.

  本公开提供具有式（I）的取代哌啶化合物，以及其药学上可接受的盐和溶剂化合物，其中R1、B、X和Z如规范中所述。本公开还涉及使用式I的化合物治疗对SMYD蛋白质的阻断具有响应的疾病，如SMYD3或SMYD2。本公开的化合物特别适用于治疗癌症。
• 7-Acyl-3-(sulfonic acid and sulfamoyl substituted tetrazolyl
  申请人：SmithKline Corporation

  公开号：US04048311A1

  公开（公告）日：1977-09-13

  The compounds of this invention are cephalosporins having various acyl substituents at the 7-position and a sulfonic acid or sulfamoyl substituted tetrazolyl thiomethyl group at the 3-position of the cephem nucleus and intermediates for the preparation thereof. The 7-acylated compounds have antibacterial activity.

  本发明的化合物是头孢菌素，其在7位具有各种酰基取代基，并且在头孢菌素核的3位有磺酸或磺胺基取代的四唑基硫甲基基团，并提供其制备的中间体。7-酰化化合物具有抗菌活性。