1-([1,1'-biphenyl]-4-yl)hex-5-en-1-one | 792706-30-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-([1,1'-biphenyl]-4-yl)hex-5-en-1-one
• 英文别名: 1-biphenyl-4-yl-hex-5-en-1-one；1-(4-phenylphenyl)hex-5-en-1-one
• CAS: 792706-30-0
• 化学式: C₁₈H₁₈O
• 分子量: 250.34
• InChiKey: AUXDGESVAQCDRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-([1,1'-biphenyl]-4-yl)hex-5-en-1-one 在 sodium tetrahydroborate 、 水 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 1-biphenyl-4-yl-hex-5-en-1-ol
  参考文献：
  名称：

  [EN] KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS
  [FR] CETONES ET CETONES REDUITES EN TANT QU'AGENTS THERAPEUTIQUES DESTINES AU TRAITEMENT D'AFFECTIONS OSSEUSES

  摘要：

  公开号：

  WO2004098582A3
• 作为产物：
  描述：

  4-pentenylmagnesium bromid 、 N-methoxy-N-methyl-[1,1'-biphenyl]-4-carboxamide 以 四氢呋喃 为溶剂， 反应 2.0h， 以70%的产率得到1-([1,1'-biphenyl]-4-yl)hex-5-en-1-one
  参考文献：
  名称：

  [EN] KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS
  [FR] CETONES ET CETONES REDUITES EN TANT QU'AGENTS THERAPEUTIQUES DESTINES AU TRAITEMENT D'AFFECTIONS OSSEUSES

  摘要：

  公开号：

  WO2004098582A3

文献信息

• Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions
  申请人：Ralston Hamilton Stuart

  公开号：US20070027112A1

  公开（公告）日：2007-02-01

  The present invention pertains to certain ketones and reduced ketones and derivatives thereof which, inter alia, inhibit osteoclast survival, formation, and/or activity; and/or inhibit bone resorption, and more particularly to compounds of the formulae: (1) (2) wherein: Ar 1 is independently a biphenyl, phenanthryl, fluorenyl, or carbazolyl, and is optionally substituted; R alk is independently a C 2-10 alkylene group, and is optionally substituted; —OR O , if present, is independently —OH or —OR K ; —OR K , if present, is independently selected from: —O—R K1 ; —O—C(═O)R K2 ; —O—C(═O)OR K3 ; —O—S(═O)2OR K4 ; Q is independently —OH or —OR OT ; wherein: —OR OT , if present, is independently selected from: —O—R E1 ; —O—C(═O)—R E2 ; —O—C(═O)—O—R E3 ; —O—C(═O)—O—SO 3 R E4 ; —O—C(═O)—O—(CH 2 ) n —COOR E5 ; —O—C(═O)—(CH 2 ) n —NR N1 R N2 ; —O—C(═O)—(CH 2 ) n —NH—C(═O)R E6 ; —O—C(═O)—(CH 2 ) n —C(═O)—NR N3 R N4 ; —O—P(═O)(OR E7 )(OR E8 ); —O—R PA ; R PA , if present, is an organic group which incorporates a phosphonic acid group; with the proviso A that if —OR OT is —O—R E1 , then R E1 is not a phenyl group substituted with a sulfonyl group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, or prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit osteoclast survival, formation, and/or activity, and to inhibit conditions mediated by osteoclasts and/or characterised by bone resorption, in the treatment of bone disorders such as osteoporosis, rheumatoid arthritis, cancer associated bone disease, Paget's disease, aseptic loosening of prosthetic implants, and the like; and/or in the treatment of conditions associated with inflammation or activation of the immune system.

  本发明涉及某些酮和还原酮及其衍生物，其中包括抑制破骨细胞的存活、形成和/或活性；和/或抑制骨吸收的化合物，更具体地说，是以下式子的化合物：（1）（2） 其中：Ar1独立地是联苯基，菲基，芴基或咔唑基，且可以被取代；Ralk独立地是C2-10烷基，且可以被取代；-ORO，如果存在，则独立地是-OH或-ORK；-ORK，如果存在，则独立地选自：-O-RK1；-O-C（═O）-RK2；-O-C（═O）-ORK3；-O-S（═O）2ORK4；Q独立地是-OH或-OROT；其中：-OROT，如果存在，则独立地选自：-O-RE1；-O-C（═O）-RE2；-O-C（═O）-O-RE3；-O-C（═O）-O-SO3RE4；-O-C（═O）-O-（CH2）n-COORE5；-O-C（═O）-（CH2）n-NRN1RN2；-O-C（═O）-（CH2）n-NH-C（═O）RE6；-O-C（═O）-（CH2）n-C（═O）-NRN3RN4；-O-P（═O）（ORE7）（ORE8）；-O-RPA；如果存在RPA，则是包含膦酸基的有机基团；但前提是如果-OROT是-O-RE1，则RE1不是取代有磺酰基的苯基；以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、化学保护形式或前药。本发明还涉及包含这种化合物的制药组合物，以及这种化合物和组合物的使用，无论是在体内还是体外，以抑制破骨细胞的存活、形成和/或活性，并抑制由破骨细胞介导和/或特征为骨吸收的疾病，如骨质疏松症、类风湿性关节炎、癌症相关骨病、帕吉特病、假体松动等；和/或用于治疗与炎症或免疫系统激活相关的疾病。
• KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS
  申请人：RALSTON Stuart H.

  公开号：US20080312186A1

  公开（公告）日：2008-12-18

  The present invention pertains to certain ketones and reduced ketones and derivatives thereof which, inter alia, inhibit osteoclast survival, formation, and/or activity; and/or inhibit bone resorption, and more particularly to compounds of the formulae and pharmaceutically acceptable salts, amides, esters, and ethers thereof, wherein: Ar1, R alk , —ORO, and -Q are as defined herein: The present invention also pertains to pharmaceutical compositions comprising such compounds. The compounds inhibit osteoclast survival, formation, and/or activity, and inhibit conditions mediated by osteoclasts and/or characterised by bone resorption, and are useful in the treatment of bone disorders such as osteoporosis, rheumatoid arthritis, cancer associated bone disease, Paget's disease, aseptic loosening of prosthetic implants, and the like; and/or in the treatment of conditions associated with inflammation or activation of the immune system.

  本发明涉及某些酮和还原酮及其衍生物，其中包括抑制破骨细胞的存活、形成和/或活性；和/或抑制骨吸收的化合物，更具体地，涉及以下式子的化合物和其药学上可接受的盐，酰胺，酯和醚，其中：Ar1，Ralk，—ORO和-Q如本文所定义的：本发明还涉及包含这些化合物的药物组合物。这些化合物抑制破骨细胞的存活、形成和/或活性，并抑制由破骨细胞介导和/或以骨吸收为特征的疾病，并可用于治疗骨疾病，如骨质疏松症、类风湿性关节炎、与癌症相关的骨疾病、帕吉特病、人工假体无菌松动等；和/或用于治疗与炎症或免疫系统激活相关的疾病。
• 10.1002/chem.202401494
  作者：Geniller, Lilian、Ben Kraim, Hiba、Clot, Eric、Taillefer, Marc、Jaroschik, Florian、Prieto, Alexis

  DOI：10.1002/chem.202401494

  日期：——

  and general photocatalyzed allylation reaction has been established. This transformation that uses simple allyl bromides and oxime esters derived from commercially available and pharmaceutically relevant carboxylic acids, gives access to a wide array of allylic compounds that can be further employed in organic synthesis.

  已经建立了有效且通用的光催化烯丙基化反应。这种转化使用简单的烯丙基溴和衍生自市售和药学相关的羧酸的肟酯，获得了一系列可进一步用于有机合成的烯丙基化合物。
• US7572825B2
  申请人：——

  公开号：US7572825B2

  公开（公告）日：2009-08-11
• US7598289B2
  申请人：——

  公开号：US7598289B2

  公开（公告）日：2009-10-06