1-(苯基磺酰基)哌啶-4-胺 | 228259-70-9

• 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: 1-(苯基磺酰基)哌啶-4-胺
• 中文别名: 1-苯磺酰基-哌啶-4-基胺
• 英文名称: 1-(phenylsulfonyl)piperidin-4-amine
• 英文别名: 1-(phenylsulfonyl)-4-piperidylamine；N-phenylsulfonyl-4-aminopiperidine；4-amino-1-benzenesulfonylpiperidine；1-(benzenesulfonyl)piperidin-4-amine
• CAS: 228259-70-9
• 化学式: C₁₁H₁₆N₂O₂S
• mdl: MFCD06805738
• 分子量: 240.326
• InChiKey: JKYZVBQALRYBKE-UHFFFAOYSA-N

物化性质

• 熔点：
  167-168 °C(Solv: ethanol (64-17-5))
• 沸点：
  390.2±52.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 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：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2935009090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(苯基磺酰基)哌啶-4-胺 、 (2S)-1-(溴乙酰基)-2-吡咯烷甲腈 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 (S)-1-(1-[phenylsulfonyl]piperidin-4-ylamino)acetyl-2-pyrrolidinecarbonitrile
  参考文献：
  名称：

  DIPEPTIDYL PEPTIDASE IV INHIBITOR

  摘要：

  一个由通用式(I)表示的化合物：         A-B-D <其中 A代表取代或未取代的1-吡咯烷基、取代或未取代的3-噻唑烷基、取代或未取代的1-氧代-3-噻唑烷基等； B代表a)由-(C(R1)(R2))kCO-（其中k表示1至6的整数，R1和R2可以相同也可以不同，每个代表氢原子、羟基、卤素原子等）等的基团； D代表-U-V [其中U代表取代或未取代的哌嗪基团等，V代表-E-R7（其中E代表单键、-CO-、-C(=O)O-或-SO2-；R7代表氢原子、取代或未取代的烷基等）] >或其药理学上可接受的盐。

  公开号：

  EP1354882A1
• 作为产物：
  描述：

  1-benzenesulfonyl-4-tert-butoxycarbonylaminopiperidine 在 三氟乙酸 作用下， 反应 10.0h， 生成 1-(苯基磺酰基)哌啶-4-胺
  参考文献：
  名称：

  Structure-based design of benzo[e]isoindole-1,3-dione derivatives as selective GSK-3β inhibitors to activate Wnt/β-catenin pathway

  摘要：

  Deregulation of Wnt/beta-catenin pathway is closely related to the pathogenesis of neurodegenerative diseases such as Alzheimer's disease (AD), and glycogen synthase kinase 3 beta (GSK-3 beta), the central negative regulator of Wnt pathway, is regarded as an important target for these diseases. Here, we report a series of benzo[e]isoindole-1,3-dione derivatives as selective GSK-3 beta inhibitors by rational-design and synthesis, which show high selectivity against GSK-3 beta over Cyclin-dependent kinase 2 (CDK2), and significantly activate the cellular Wnt/beta-catenin pathway. The structure-activity relationship of these GSK-3 beta inhibitors was also explored by in silico molecular docking. (C) 2015 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.bioorg.2015.05.009

文献信息

• Compounds and compositons for treating C1s-mediated diseases and conditions
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20020037915A1

  公开（公告）日：2002-03-28

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 1 , R 2 , R 3 , R 4 , X, Y and Z are defined in the specification.

  揭示了一种治疗急性或慢性疾病症状的方法，该疾病是由补体级联的经典途径介导的，包括向需要此类治疗的哺乳动物施用化合物I的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中规范中定义了R1、R2、R3、R4、X、Y和Z。
• [EN] 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] DERIVES AMIDES DE L'ACIDE CARBOXYLIQUE DE 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE 3 ET COMPOSES ASSOCIES EN TANT QU'ANTAGONISTES DE RECEPTEUR DE B1 DE LA BRADYKININE POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：ELAN PHARM INC

  公开号：WO2004098589A1

  公开（公告）日：2004-11-18

  Disclosed are compounds of formula I and II that are bradykinin B1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  公开的是化合物I和II的结构式，它们是激肽酶B1受体拮抗剂，适用于治疗哺乳动物中由激肽酶B1受体介导的疾病，或缓解与疾病状况相关的不良症状。其中某些化合物表现出增强的效力，并且预计还将表现出延长作用的特性。
• Novel compounds useful for bradykinin B1 receptor antagonism
  申请人：Ye Michael Xiaocong

  公开号：US20070032475A1

  公开（公告）日：2007-02-08

  Disclosed are compounds that are bradykinin B 1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B 1 receptor.

  揭示了一种化合物，它们是布雷金肽B1受体拮抗剂，可用于治疗或缓解由布雷金肽B1受体介导的哺乳动物疾病，或与疾病状况相关的不良症状。
• [EN] INHIBITORS OF HEPATOCYTE GROWTH FACTOR [HGF] AND MACROPHAGE STIMULATING PROTEIN [MSP] MATURATION<br/>[FR] INHIBITEURS DE MATURATION DU FACTEUR DE CROISSANCE HÉPATOCYTAIRE (HGF] ET DE LA PROTÉINE DE STIMULATION DES MACROPHAGES [MSP]
  申请人：SOUTHERN RES INST

  公开号：WO2015184222A1

  公开（公告）日：2015-12-03

  Provided are certain cyclic urea compounds that are capable of inhibiting certain serine proteases, and especially the serine proteases matriptase, hepsin and hepatocyte growth factor activator (HGFA) involved in the maturation of hepatocyte growth factor (HGF) and macrophage stimulating protein (MSP), and novel precursors thereof. Compounds of the present disclosure can be used to treat a number of disorders caused by or associated with abnormal matriptase, hepsin and HGFA protease activity by inhibiting the proteolytic cleavage of pro-HGF to mature HGF and pro-MSP to mature MSP caused by these enzymes. Compounds of the present disclosure can be used to treat disorders including precancerous conditions and cancer including metastatic disease, prevention and reversion of cancer resistance, and the inhibition of cancer stem cells. The compounds of this invention are applicable to the treatment of cancers of many tissue types including solid and liquid tumors.

  提供了一些能够抑制特定丝氨酸蛋白酶的环脲化合物，尤其是涉及肝细胞生长因子（HGF）和巨噬细胞刺激蛋白（MSP）成熟的丝氨酸蛋白酶matriptase、hepsin和肝细胞生长因子激活酶（HGFA），以及其新颖前体。本公开的化合物可用于治疗由或与异常matriptase、hepsin和HGFA蛋白酶活性相关的多种疾病，通过抑制这些酶引起的pro-HGF到成熟HGF和pro-MSP到成熟MSP的蛋白水解裂解。本公开的化合物可用于治疗包括癌前病变和癌症（包括转移性疾病、预防和逆转癌症耐药性以及抑制癌干细胞）在内的多种疾病。本发明的化合物适用于治疗多种组织类型的癌症，包括实体肿瘤和液体肿瘤。
• [EN] NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS<br/>[FR] HETEROAROMATIQUES CONTENANT DE L'AZOTE, PRESENTANT DES GROUPES P1 A SUBSTITUTION ORTHO, ET UTILISES EN TANT QU'INHIBITEURS DU FACTEUR XA
  申请人：DU PONT PHARM CO

  公开号：WO1999032454A1

  公开（公告）日：1999-07-01

  The present application describes nitrogen containing heteroaromatics with ortho-substituted P1's and derivatives thereof of Formula (I) or pharmaceutically acceptable salt or prodrug forms thereof, wherein J is N or NH and D is substituted ortho to G on E and may be CH2NH2, which are useful as inhibitors of factor Xa.

  本申请描述了具有含氮杂环的P1正交取代基和其衍生物的公式(I)或其药学上可接受的盐或前药形式，其中J为N或NH，D在E上的G的正交取代基处被取代，可以是CH2NH2，这些化合物可用作凝血因子Xa的抑制剂。