2-(α-bromo-benzyl)-naphthalene | 858440-27-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(α-bromo-benzyl)-naphthalene
• 英文别名: 2-(α-Brom-benzyl)-naphthalin；(2-naphthyl)phenylmethyl bromide；2-[Bromo(phenyl)methyl]naphthalene
• CAS: 858440-27-4
• 化学式: C₁₇H₁₃Br
• mdl: MFCD18960368
• 分子量: 297.194
• InChiKey: YOEQZGQKVITZDH-UHFFFAOYSA-N

物化性质

• 沸点：
  397.1±11.0 °C(Predicted)
• 密度：
  1.370±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.058
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Ethyl[(2-mercapto-4H-[1]benzopyrano[4,3-d]thiazol-6-yl)-oxy]acetate 、 2-(α-bromo-benzyl)-naphthalene 以45%的产率得到[[2-(2-Naphthyl)phenylmethylthio-4H-[1]benzopyrano[4,3-d]thiazol-6-yl]oxy]acetic Acid
  参考文献：
  名称：

  Tricyclic compounds, their production and use

  摘要：

  该公式的化合物： 其中R1为H或取代基；m为1-3；Ar为可能被取代的芳香基团；X为键或具有1-6个原子的二价直链基团，可能被取代；Y为—S—，—O—或—N(R2— (R2为H或取代基团)，Z为—N═或—C(R3)═ (R3为H或碳氢基团)，环A为苯环；环B为可能被取代的5-至7-成员环，或其盐对诱导前列腺素I2受体激动效应有用。

  公开号：

  US06248766B1
• 作为产物：
  描述：

  萘-2-基(苯基)甲醇 在 phosphorus tribromide 作用下， 以 异丙醚 为溶剂， 以64%的产率得到2-(α-bromo-benzyl)-naphthalene
  参考文献：
  名称：

  Tricyclic compounds, their production and use

  摘要：

  该公式的化合物： 其中R1为H或取代基；m为1-3；Ar为可能被取代的芳香基团；X为键或具有1-6个原子的二价直链基团，可能被取代；Y为—S—，—O—或—N(R2— (R2为H或取代基团)，Z为—N═或—C(R3)═ (R3为H或碳氢基团)，环A为苯环；环B为可能被取代的5-至7-成员环，或其盐对诱导前列腺素I2受体激动效应有用。

  公开号：

  US06248766B1

文献信息

• [EN] ((((1H-INDOL-3YL) METHYLIDENE)AMINO)OXY)ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF INPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS<br/>[FR] DERIVES D'ACIDE ((((1H-INDOL-3YL)METHYLIDENE)AMINO)OXY)ACETIQUE ET COMPOSES CORRESPONDANTS CONVENANT COMME INHIBITEURS DES PAI-1 POUR LE TRAITEMENT DE L'INSUFFISANCE DU SYSTEME FIBRINOLYTIQUE ET DE LA THROMBOSE
  申请人：WYETH CORP

  公开号：WO2005030191A1

  公开（公告）日：2005-04-07

  The present invention relates to indole oxime derivatives of formula (I) wherein: R1 is -OH, -OC1-C8 alkyl, or NH2; R2 and R3 are, independently, hydrogen, C1-C8 alkyl, -CH2-C3-C6 cycloalkyl, -CH2-pyridinyl, phenyl, or benzyl; R4 is hydrogen, C1-C8 alkyl, C3-C6 cycloalkyl, -CH2-C3-C6 cycloalkyl, phenyl, benzyl, heteroaryl, or -CH2-heteoraryl; X is: formula (II), (III), (IV) or (V).The other substituents are defined in claim 1. The present compounds are PAI-1 inhibitors for the treatment of e.g. impairment of the fibrinolytic system, thrombosis or cardiovascular diseases.

  本发明涉及式(I)的吲哚肟衍生物，其中：R1为-OH，-OC1-C8烷基，或NH2；R2和R3分别为氢，C1-C8烷基，-CH2-C3-C6环烷基，-CH2-吡啶基，苯基，或苄基；R4为氢，C1-C8烷基，C3-C6环烷基，-CH2-C3-C6环烷基，苯基，苄基，杂环烷基，或-CH2-杂环烷基；X为：式(II)，(III)，(IV)或(V)。其他取代基在权利要求书中定义。本化合物是PAI-1抑制剂，用于治疗如纤溶系统障碍、血栓形成或心血管疾病。
• [EN] SUBSTITUTED OXADIAZOLIDINEDIONES ALS PAI-1 INHIBITORS<br/>[FR] OXADIAZOLIDINEDIONES SUBSTITUES UTILISES COMME INHIBITEURS DES ALS PAI-1
  申请人：WYETH CORP

  公开号：WO2005030203A1

  公开（公告）日：2005-04-07

  The present invention relates generally to substituted oxadiazolidinediones of the Formula (I); wherein R1 is hydrogen or -(CH2)nCOOH; n is an integer from 1 to 3; X is Formula (A), Formula (B), Formula (C) or Formula (D); as inhibitors of PAI-1.

  本发明涉及一般式(I)的取代噁唑烷二酮，其中R1为氢或-(CH2)nCOOH；n为1至3的整数；X为公式(A)、公式(B)、公式(C)或公式(D)，作为PAI-1的抑制剂。
• Substituted oxadiazolidinediones
  申请人：Gopalsamy Ariamala

  公开号：US20050113428A1

  公开（公告）日：2005-05-26

  The present invention relates generally to substituted oxadiazolidinediones and methods of using them.

  本发明涉及代替的噁唑烷二酮及其使用方法。
• Non-steroidal farnesoid x receptor modulators and methods for the use thereof
  申请人：Downes R Michael

  公开号：US20060128764A1

  公开（公告）日：2006-06-15

  The efficient regulation of cholesterol synthesis, metabolism, acquisition, and transport is an essential component of lipid homeostasis. The farnesoid X receptor (FXR) is a transcriptional sensor for bile acids, the primary product of cholesterol metabolism. Accordingly, the development of potent, selective, small molecule agonists, partial agonists, and antagonists of FXR would be an important step in further deconvoluting FXR physiology. In accordance with the present invention, the identification of novel potent FXR activators is described. Two derivatives of invention compounds, bearing stilbene or biaryl moieties, contain members that are the most potent FXR agonists reported to date in cell-based assays. These compounds are useful as chemical tools to further define the physiological role of FXR as well as therapeutic leads for the treatment of diseases linked to cholesterol, bile acids and their metabolism and homeostasis.

  胆固醇合成、代谢、获取和运输的高效调节是脂类稳态的重要组成部分。法尼索德X受体（FXR）是胆固醇代谢的主要产物——胆汁酸的转录传感器。因此，开发有效、选择性、小分子的FXR激动剂、部分激动剂和拮抗剂将是进一步解析FXR生理学的重要一步。根据本发明，描述了新型有效的FXR激动剂的鉴定。发明化合物的两个衍生物，携带了联苯或联苯醚基团，包含了迄今为止在细胞基础实验中报道的最有效的FXR激动剂。这些化合物可用作化学工具，进一步定义FXR的生理作用，以及治疗与胆固醇、胆汁酸及其代谢和稳态相关的疾病的治疗前导化合物。
• Non-steroidal farnesoid x receptor modulators
  申请人：Downes R. Michael

  公开号：US20060223879A1

  公开（公告）日：2006-10-05

  The efficient regulation of cholesterol synthesis, metabolism, acquisition, and transport is an essential component of lipid homeostasis. The farnesoid X receptor (FXR) is a transcriptional sensor for bile acids, the primary product of cholesterol metabolism. Accordingly, the development of potent, selective, small molecule agonists, partial agonists, and antagonists of FXR would be an important step in further deconvoluting FXR physiology. In accordance with the present invention, the identification of novel potent FXR activators is described. Two derivatives of invention compounds, bearing stilbene or biaryl moieties, contain members that are the most potent FXR agonists reported to date in cell-based assays. These compounds are useful as chemical tools to further define the physiological role of FXR as well as therapeutic leads for the treatment of diseases linked to cholesterol, bile acids and their metabolism and homeostasis.

  胆固醇的合成、代谢、获取和转运的高效调节是脂质稳态的重要组成部分。法尼索德X受体（FXR）是胆汁酸的转录感受器，是胆固醇代谢的主要产物。因此，开发有效、选择性、小分子激动剂、部分激动剂和拮抗剂对于进一步解析FXR生理学是重要的一步。根据本发明，描述了新型有效的FXR激动剂的鉴定。两种发明化合物的衍生物，含有联苯乙烯或联芳基团，包含目前在细胞基础实验中报道的最有效的FXR激动剂成员。这些化合物可用作化学工具，进一步定义FXR的生理作用，以及治疗与胆固醇、胆汁酸及其代谢和稳态相关的疾病的治疗前导化合物。