6-羟基-1-(4-苯基苯基)己烷-1-酮 | 792705-86-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-羟基-1-(4-苯基苯基)己烷-1-酮
• 英文名称: 6-hydroxy-1-(4-biphenyl) hexan-1-one
• 英文别名: ABD68；1-Hexanone, 1-[1,1'-biphenyl]-4-yl-6-hydroxy-；6-hydroxy-1-(4-phenylphenyl)hexan-1-one
• CAS: 792705-86-3
• 化学式: C₁₈H₂₀O₂
• 分子量: 268.356
• InChiKey: NEHOHNHDRJCGMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-羟基-1-(4-苯基苯基)己烷-1-酮 、 甲氧基胺盐酸盐 在 吡啶 作用下， 以 甲醇 、 水 为溶剂， 反应 0.5h， 以85%的产率得到1-biphenyl-4-yl-6-hydroxy-hexan-1-one-O-methyl-oxime
  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：

  2,2-[4-biphenyl-(5-hydroxypentyl)]-1,3-propanedithiane 在 copper(II) oxide 、 copper dichloride 作用下， 以 水 、 丙酮 为溶剂， 反应 1.0h， 以45%的产率得到6-羟基-1-(4-苯基苯基)己烷-1-酮
  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

• 2',4'-DICHLORO-BIPHENYL-4-YL-HYDROXY-KETONES AND RELATED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：Greig Iain Robert

  公开号：US20080221220A1

  公开（公告）日：2008-09-11

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain 2′,4′-dichloro-biphenyl-4-yl-hydroxy-ketones and related compounds (collectively referred to herein as “DCBP compounds”), and more particularly to compounds selected from compounds of the following formula and pharmaceutically acceptable salts, solvates, and hydrates thereof: wherein: n is independently 1, 2, 3, or 4; W is independently —C(═O)—, —CH(OH)—, or —C(═NOR OX )—; R OX is independently —H or C 1-3 alkyl; J is independently: —H, —R E1 , —C(═O)—R E2 , —C(═O)—O—R E3 , —C(═O)—O—S(═O) 2 OR E4 , —C(═O)—(CH 2 ) n —C(═O)OR E5 , —C(═O)—(CH 2 ) n —NR NE1 R NE2 , —C(═O)—(CH 2 ) n —NR NE3 —C(═O)R E6 , —C(═O)—(CH 2 ) n —C(═O)—NR NE4 R NE5 , or —P(═O)(OR E7 )(OR E8 ); wherein each of R E1 , R E2 , R E3 , R E4 , R E5 , R E6 , and R E7 is independently: —H, C 1-3 alkyl, -Ph, or —CH 2 -Ph. 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, in treatment and/or prevention, for example, of inflammation and/or joint destruction and/or bone loss; of disorders mediated by excessive and/or inappropriate and/or prolonged activation of the immune system; of, inflammatory and autoimmune disorders, for example, rheumatoid arthritis, psoriasis, psoriatic arthritis, inflammatory bowel disease, ankylosing spondylitis, and the like; of disorders associated with bone loss, such as bone loss associated with excessive osteoclast activation in rheumatoid arthritis, osteoporosis, cancer associated bone disease, Paget's disease and the like.

  本发明涉及治疗化合物领域，更具体地涉及某些2′，4′-二氯联苯基-4-羟基酮类化合物及相关化合物（以下统称为“DCBP化合物”），更进一步地，涉及选择自以下公式化合物及其药学上可接受的盐、溶剂和水合物的化合物：其中：n独立地为1、2、3或4；W独立地为—C(═O)—、—CH(OH)—或—C(═NOROX)—；ROX独立地为—H或C1-3烷基；J独立地为：—H、—RE1、—C(═O)—RE2、—C(═O)—O—RE3、—C(═O)—O—S(═O)2ORE4、—C(═O)—(CH2)n—C(═O)ORE5、—C(═O)—(CH2)n—NRNE1RNE2、—C(═O)—(CH2)n—NRNE3—C(═O)RE6、—C(═O)—(CH2)n—C(═O)—NRNE4RNE5或—P(═O)(ORE7)(ORE8)；其中，RE1、RE2、RE3、RE4、RE5、RE6和RE7中的每一个独立地为：—H、C1-3烷基、-Ph或—CH2-Ph。本发明还涉及包含这样的化合物的制剂，以及这样的化合物和制剂的使用，无论是体外还是体内，在治疗和/或预防方面，例如：炎症和/或关节破坏和/或骨质丢失；由免疫系统过度和/或不适当和/或持续激活引起的疾病；炎症和自身免疫性疾病，例如：类风湿性关节炎、银屑病、银屑病性关节炎、炎症性肠病、强直性脊柱炎等；与骨质丢失有关的疾病，例如：类风湿性关节炎中过度破骨细胞激活引起的骨质丢失、骨质疏松症、与癌症相关的骨病、帕吉特病等。
• 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。
• US7560597B2
  申请人：——

  公开号：US7560597B2

  公开（公告）日：2009-07-14
• US7572825B2
  申请人：——

  公开号：US7572825B2

  公开（公告）日：2009-08-11