N-methyl-N'-[1]naphthyl-urea | 75038-20-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-methyl-N'-[1]naphthyl-urea
• 英文别名: N-Methyl-N'-[1]naphthyl-harnstoff；N-Methyl-N'-α-naphthyl-harnstoff；N-methyl-N'-(1-naphthyl)urea；1-methyl-3-naphthalen-1-ylurea
• CAS: 75038-20-9
• 化学式: C₁₂H₁₂N₂O
• mdl: MFCD00021427
• 分子量: 200.24
• InChiKey: VDJTZEDAWWLYLP-UHFFFAOYSA-N

物化性质

• 沸点：
  344.2±15.0 °C(Predicted)
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-methyl-N'-[1]naphthyl-urea 、 氰乙酸 在 乙酸酐 、 sodium hydroxide 作用下， 以 乙酸乙酯 、 水 为溶剂， 反应 5.0h， 以75%的产率得到6-amino-3-methyl-1-(1-naphthyl)uracil
  参考文献：
  名称：

  EP1541562

  摘要：

  公开号：
• 作为产物：
  描述：

  1-萘胺 、 异氰酸甲酯 在 苯 作用下， 生成 N-methyl-N'-[1]naphthyl-urea
  参考文献：
  名称：

  Boehmer, Recueil des Travaux Chimiques des Pays-Bas, 1936, vol. 55, p. 379,383

  摘要：

  DOI：

文献信息

• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：POLYPHOR AG

  公开号：US20150051183A1

  公开（公告）日：2015-02-19

  The conformationally restricted, spatially defined macrocyclic ring system of formula (I) is constituted by three distinct molecular parts: Template A, conformation Modulator B and Bridge C. Macrocycles described by this ring system I are readily manufactured by parallel synthesis or combinatorial chemistry in solution or on solid phase. They are designed to interact with a variety of specific biological target classes, examples being agonistic or antagonistic activity on G-protein coupled receptors (GPCRs), inhibitory activity on enzymes or antimicrobial activity. In particular, these macrocycles show inhibitory activity on endothelin converting enzyme of subtype 1 (ECE-1) and/or the cysteine protease cathepsin S (CatS), and/or act as antagonists of the oxytocin (OT) receptor, thyrotropin-releasing hormone (TRH) receptor and/or leukotriene B4 (LTB4) receptor, and/or as agonists of the bombesin 3 (BB3) receptor, and/or show antimicrobial activity against at least one bacterial strain. Thus they are showing great potential as medicaments for a variety of diseases.

  公式（I）的构象受限、空间定义的大环环系统由三个不同的分子部分组成：模板A、构象调节剂B和桥C。由这种环系统I描述的大环可通过并行合成或溶液中或固相上的组合化学轻松制造。它们被设计用于与各种特定生物靶标类相互作用，例如在G蛋白偶联受体（GPCR）上的激动或拮抗活性，酶的抑制活性或抗菌活性。特别是，这些大环显示对亚型1的内皮素转化酶（ECE-1）和/或半胱氨酸蛋白酶卡特普辛S（CatS）的抑制活性，和/或作为催产素（OT）受体、促甲状腺释放激素（TRH）受体和/或白三烯B4（LTB4）受体的拮抗剂，和/或作为瘤胃素3（BB3）受体的激动剂，和/或对至少一种细菌菌株显示抗菌活性。因此，它们显示出作为各种疾病药物的巨大潜力。
• 1-arylpyrimidine derivatives and pharmaceutical use thereof
  申请人：Japan Energy Corporation

  公开号：US05661153A1

  公开（公告）日：1997-08-26

  The present invention relates to 1-arylpyrimidine derivatives represented by general formula (I): ##STR1## wherein R.sub.1 is H, alkyl or aralkyl; Ar is 1-naphthyl, or a substituted or unsubstituted phenyl group; R.sub.4 is a substituted phenyl, a substituted styryl, 1-methylcyclohexyl, 4-methylcyclohexyl, 4-oxo-4H-pyran-2-yl or 2-oxo-2H-pyran-5-yl group; R.sub.5 and R.sub.6 are each independently H or alkyl; R.sub.3 is H, and R.sub.7 and R.sub.8 are combined together to be oxo, or else R.sub.3 and R.sub.7 are combined together to be another direct bond, and R.sub.5 and R.sub.8 are combined together to be a direct bond, or pharmaceutically acceptable salts thereof; and methods for treating allergic diseases with such compounds.

  本发明涉及由通用公式(I)表示的1-芳基嘧啶衍生物：##STR1## 其中R.sub.1是H，烷基或芳烷基；Ar是1-萘基，或一个取代的或未取代的苯基；R.sub.4是一个取代的苯基，一个取代的苯乙烯基，1-甲基环己基，4-甲基环己基，4-氧代-4H-吡喃-2-基或2-氧代-2H-吡喃-5-基团；R.sub.5和R.sub.6各自独立是H或烷基；R.sub.3是H，R.sub.7和R.sub.8组合在一起形成氧代，或者R.sub.3和R.sub.7组合在一起形成另一个直接键，R.sub.5和R.sub.8组合在一起形成一个直接键，或其药用可接受盐；以及使用此类化合物治疗过敏性疾病的方法。
• [EN] SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING INKT CELLS<br/>[FR] COMPOSÉS DE SPHINGAMIDE ET PROCÉDÉS DE LIAISON DE CELLULES INKT
  申请人：LA JOLLA INST ALLERGY & IMMUNOLOGY

  公开号：WO2017083830A1

  公开（公告）日：2017-05-18

  The compounds, compositions and methods provided herein antagonize, inhibit, decrease, reduce, suppress, or disrupt CD1d-mediated, iNKT cell-mediated, and/or iNKT cell TCR-mediated immune signaling. The sphingamide compounds were rationally designed based upon 3D structural considerations in relation to the structures of each of CD1d, the iNKT cell TCR, and the ternary complex CD1d-a-GalCer analog lipids-TCR. More specifically, the addition of an amide in the phytosphingosine tail of a derivative of ?-GalCer led to a non-conserved binding with CD1d, a conserved binding with the iNKT cell TCR, and an antagonist-like phenotype.

  这些化合物、组合物和方法在此处提供，对CD1d介导的、iNKT细胞介导的和/或iNKT细胞TCR介导的免疫信号进行拮抗、抑制、减少、降低、抑制或干扰。这些鞘胺化合物是根据与CD1d、iNKT细胞TCR以及三元复合物CD1d-a-GalCer类脂类-TCR的结构相关的三维结构考虑而合理设计的。更具体地说，将一种鞘磷酸鞘氨醇尾部的酰胺添加到?-GalCer衍生物中，导致与CD1d的非保守性结合、与iNKT细胞TCR的保守性结合以及拮抗剂样表型。
• Novel uracil derivatives and medicinal use thereof
  申请人：Isobe Yoshiaki

  公开号：US20060094737A1

  公开（公告）日：2006-05-04

  It is intended to provide an uracil derivative represented by the following general formula (I): (I) wherein X represents a group selected from among NHCO, NHCH 2 , CO, CONH and CH 2 NH; R 1 represents hydrogen or optionally substituted C 1-6 alkyl; R 2 represents a group of the following general formula (II) or (III): (II) (III) (wherein m is 0 or 1; n is an integer of from 1 to 3; Y represents OH or NH 2 ; and a dotted line shows a binding position), provided that when R 2 is a group of the general formula (III), X represents NHCO or NHCH 2 ; R 3 and R 4 independently represent each hydrogen or C 1-6 alkyl; and Ar represents phenyl substituted by C 1-6 alkyl at the o- and m-positions, optionally substituted heteroaryl or a bicyclic aromatic group; its pharmaceutically acceptable salt, and a remedy containing the above uracil derivative or its pharmaceutically acceptable salt as the active ingredient for, in particular, allergic diseases relating to a type IV allergic reaction, i.e., a novel compound useful in treating diseases in which a type IV allergic reaction participates and a remedy for allergic diseases containing the same as the active ingredient.

  本发明旨在提供一种尿嘧啶衍生物，其通式如下（I）：（I）其中X代表从NHCO、NHCH2、CO、CONH和CH2NH中选择的基团；R1代表氢或可选取代的C1-6烷基；R2代表下列通式（II）或（III）的基团：（II）（III）（其中m为0或1；n为1至3的整数；Y代表OH或NH2；虚线表示结合位置），但当R2为通式（III）的基团时，X代表NHCO或NHCH2；R3和R4独立地代表氢或C1-6烷基；Ar代表在o-和m-位取代C1-6烷基的苯基、可选取代的杂环芳基或双环芳基；其药学上可接受的盐，以及含有上述尿嘧啶衍生物或其药学上可接受的盐作为活性成分的治疗剂，特别是用于与IV型过敏反应相关的过敏性疾病的一种新型化合物，以及含有该化合物作为活性成分的过敏性疾病治疗剂。
• Potassium Channel Inhibitors
  申请人：Trotter B. Wesley

  公开号：US20090124665A1

  公开（公告）日：2009-05-14

  The present invention relates to compounds having the structure (I) useful as potassium channel inhibitors to treat cardiac arrhythmias, and the like.

  本发明涉及具有结构式（I）的化合物，其可用作钾通道抑制剂用于治疗心律失常等疾病。