2-氨基嘧啶-5-磺酰氯 | 289484-00-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-氨基嘧啶-5-磺酰氯
• 英文名称: 2-aminopyrimidine-5-sulfonyl chloride
• 英文别名: 2-Amino-5-pyrimidine sulfonyl Chloride
• CAS: 289484-00-0
• 化学式: C₄H₄ClN₃O₂S
• mdl: MFCD12402491
• 分子量: 193.614
• InChiKey: DMGWBLDZXCMCJN-UHFFFAOYSA-N

物化性质

• 沸点：
  429.6±37.0 °C(Predicted)
• 密度：
  1.686±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氨基嘧啶-5-磺酰氯 、 苄基-1-哌嗪碳酸酯 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Discovery and Structure–Activity Relationship of Potent and Selective Covalent Inhibitors of Transglutaminase 2 for Huntington’s Disease

  摘要：

  Tissue transglutaminase 2 (TG2) is a multifunctional protein primarily known for its calcium-dependent enzymatic protein cross-linking activity via isopeptide bond formation between glutamine and lysine residues. TG2 overexpression and activity have been found to be associated with Huntington's disease (HD); specifically, TG2 is up-regulated in the brains of HD patients and in animal models of the disease. Interestingly, genetic deletion of TG2 in two different HD mouse models, R6/1 and R6/2, results in improved phenotypes including a reduction in neuronal death and prolonged survival. Starting with phenylacrylamide screening hit 7d, we describe the SAR of this series leading to potent and selective TG2 inhibitors. The suitability of the compounds as in vitro tools to elucidate the biology of TG2 was demonstrated through mode of inhibition studies, characterization of druglike properties, and inhibition profiles in a cell lysate assay.

  DOI：

  10.1021/jm201310y
• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 在 氯磺酸 作用下， 以11.6%的产率得到2-氨基嘧啶-5-磺酰氯
  参考文献：
  名称：

  [EN] BILE ACID DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF
  [FR] DÉRIVÉS D'ACIDE BILIAIRE UTILISÉS COMME AGONISTES DE FXR ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本发明提供由式I表示的化合物，或其药学上可接受的盐、前药和酯。该发明还提供包含这些化合物的药物组合物以及使用这些化合物治疗FXR介导或TGR5介导的疾病或症状的方法。

  公开号：

  WO2018152171A1

文献信息

• [EN] HEPATITIS B VIRAL ASSEMBLY EFFECTORS<br/>[FR] EFFECTEURS D'ASSEMBLAGE DE VIRUS DE L'HÉPATITE B
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2016168619A1

  公开（公告）日：2016-10-20

  Novel assembly effector compounds having a therapeutic effect against hepatitis B viral (HBV) infection are disclosed. Assembly effector molecules described herein can lead to defective viral assembly and also may affect other viral activities associated with chronic HBV infection. Also disclosed is a process to synthesize disclosed compounds, method of treatment of HBV by administration of disclosed compounds, and use of these compounds in the manufacture of medicaments against HBV.

  揭示了一种对乙型肝炎病毒（HBV）感染具有治疗效果的新型组装效应子化合物。本文描述的组装效应子分子可以导致病毒组装缺陷，也可能影响与慢性HBV感染相关的其他病毒活动。还公开了一种合成所述化合物的方法，通过给予所述化合物治疗HBV的方法，以及利用这些化合物制造针对HBV的药物的用途。
• 咪唑并喹唑啉衍生物及其在抗肿瘤抗炎中的 应用
  申请人：浙江大学

  公开号：CN108383849B

  公开（公告）日：2020-11-06

  本发明提供一种作为PI3K抑制剂的咪唑并喹唑啉衍生物，所述化合物包括其类似物和其药学上可接受的盐、立体异构体、溶剂合物。本发明采用成环策略，对原有的Copanlisib的左侧部分进行合环和结构修饰，或在Copanlisib左侧氧原子上引入含氟片段Rf，优化分子的理化性质。实验表明所述化合物的药代动力学性质比Copanlisib有明显改善，分布容积显著降低，可降低药物在体内聚积的风险。这类化合物具有较好的药代动力学特性和较低的毒副作用，具有广阔的抗肿瘤和抗炎的应用前景，可在制备抗肿瘤、抗炎药物中的应用。所述化合物通式a和通式b结构：
• [EN] NEW MALONITRILE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE MALONITRILE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021233854A1

  公开（公告）日：2021-11-25

  The invention relates to a compound of formula (I) wherein R1-R4 and A1-A2 are as defined in the description and in the claims. The compound of formula (I) can be used as a medicament.

  本发明涉及一种式（I）的化合物，其中R1-R4和A1-A2如描述和权利要求所定义。式（I）的化合物可用作药物。
• Integrin expression inhibitor
  申请人：Wakabayashi Toshiaki

  公开号：US20050176712A1

  公开（公告）日：2005-08-11

  The present invention provides an integrin expression inhibitor, and an agent for treating arterial sclerosis, psoriasis, cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases, an anticoagulant, or a cancer metastasis suppressor on the basis of an integrin inhibitory action. Namely, it provides an integrin expression inhibitor comprising, as an active ingredient, a sulfonamide compound represented by the following formula (I), a pharmacologically acceptable salt thereof or a hydrate of them, wherein in the formula, B means a C6-C10 aryl ring or 6- to 10-membered heteroaryl ring which may have a substituent and in which a part of the ring may be saturated; K means a single bond, —CH═CH— or —(CR 4b R 5b ) m b — (wherein R 4b and R 5b are the same as or different from each other and each means hydrogen atom or a C1-C4 alkyl group; and m b means an integer of 1 or 2); R 1 means hydrogen atom or a C1-C6 alkyl group; Z means a single bond or —CO—NH—; and R means a C6-C10 aryl ring or 6- to 10-membered heteroaryl ring which may have a substituent and in which a part of the ring may be saturated, respectively.

  本发明提供了一种整合素表达抑制剂，并提供了一种基于整合素抑制作用的用于治疗动脉硬化、银屑病、癌症、视网膜血管生成、糖尿病视网膜病变或炎症性疾病的药剂、抗凝剂或癌症转移抑制剂。换句话说，本发明提供了一种整合素表达抑制剂，其包括以下式（I）所表示的磺酰胺化合物作为活性成分、其药学上可接受的盐或其水合物： 其中，在上述式中，B表示C6-C10芳基环或6-至10元杂环芳基环，其中可能有取代基，并且环的一部分可能是饱和的；K表示单键，-CH═CH-或-(CR4bR5b)mb-（其中R4b和R5b相同或不同，每个表示氢原子或C1-C4烷基；mb表示1或2的整数）；R1表示氢原子或C1-C6烷基；Z表示单键或-CO-NH-；R分别表示C6-C10芳基环或6-至10元杂环芳基环，其中可能有取代基，并且环的一部分可能是饱和的。
• Integrin expression inhibitors
  申请人：——

  公开号：US20040018192A1

  公开（公告）日：2004-01-29

  The present invention provides an integrin expression inhibitor, and an agent for treating arterial sclerosis, psoriasis, cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases, an anticoagulant, or a cancer metastasis suppressor on the basis of an integrin inhibitory action. Namely, it provides an integrin expression inhibitor comprising, as an active ingredient, a sulfonamide compound represented by the following formula (I), a pharmacologically acceptable salt thereof or a hydrate of them. 1 In the formula, B means a C6-C10 aryl ring or 6- to 10-membered heteroaryl ring which may have a substituent and in which a part of the ring may be saturated; K means a single bond, —CH═CH— or —(CR 4b R 5b ) m b — (wherein R 4b and R 5b are the same as or different from each other and each means hydrogen atom or a C1-C4 alkyl group; and m b means an integer of 1 or 2); R 1 means hydrogen atom or a C1-C6 alkyl group; Z means a single bond or —CO—NH—; and R means a C6-C10 aryl ring or 6- to 10-membered heteroaryl ring which may have a substituent and in which a part of the ring may be saturated, respectively.

  本发明提供了一种整合素表达抑制剂，以及用于治疗动脉硬化、银屑病、癌症、视网膜血管生成、糖尿病视网膜病变或炎症性疾病、抗凝剂或基于整合素抑制作用的癌症转移抑制剂的药剂。即，本发明提供一种整合素表达抑制剂，其包括以下式（I）所表示的磺酰胺化合物作为活性成分，其药学上可接受的盐或水合物。在该式中，B表示C6-C10芳基环或6-至10成员杂环，可能具有取代基，并且其中一部分环可能饱和；K表示单键，-CH═CH-或-(CR4bR5b)mb-（其中R4b和R5b相同或不同，每个表示氢原子或C1-C4烷基；mb表示1或2的整数）；R1表示氢原子或C1-C6烷基；Z表示单键或-CO-NH-；R分别表示C6-C10芳基环或6-至10成员杂环，可能具有取代基，并且其中一部分环可能饱和。