1,2,6,7,8,8α-hexahydro-β,δ,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-(βR,δR,1S,2S,6S,8S,8αR)-1-naphtaleneheptanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 1,2,6,7,8,8α-hexahydro-β,δ,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-(βR,δR,1S,2S,6S,8S,8αR)-1-naphtaleneheptanoic acid
• 英文别名: pravastatin；(3S,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
• 化学式: C₂₃H₃₆O₇
• 分子量: 424.535
• InChiKey: TUZYXOIXSAXUGO-PCXYPTFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,2,6,7,8,8α-hexahydro-β,δ,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-(βR,δR,1S,2S,6S,8S,8αR)-1-naphtaleneheptanoic acid 、 二甲双胍 以 乙酸异丁酯 为溶剂， 生成 1,2,6,7,8,8α-hexahydro-β,δ,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-(βR,δR,1S,2S,6S,8S,8αR)-1-naphtaleneheptanoic acid N,N-dimethyl-imidodicarbonimidic diamide salt
  参考文献：
  名称：

  [EN] SALT OF 1,2,6,7,8,8A-HEXAHYDRO-beta,delta,6-TRIHYDROXY-2-METHYL-8-[(2S)-2-METHYL-1-OXOBUTOXY]-, (betaR,delta R,1S,2S,6S,8S,8AR)- 1-NAPHTHALENEHEPTANOIC ACID WITH N,N-DIMETHYL-IMIDODICARBONIMIDIC DIAMIDE
  [FR] SEL DE L'ACIDE 1,2,6,7,8,8A-HEXAHYDRO-20050414WO03075933A1UPSHER SMITH LAB INC [US]20030918XXWO0045818A1ASTRAZENECA UK LTD [GB], et al20000810XX

  摘要：

  公开了一种式为（I）的新化合物，它是1,2,6,7,8,8a-六氢-β，δ，6-三羟基-2-甲基-8-[(2s)-2-甲基-1-氧丁氧基]-，（βR，δR，1S，2S，6S，8S，8aR）-1-萘庚酸和N，N-二甲基-咪唑二碳酰亚胺的相互盐。式（I）的化合物可用于治疗高脂血症和高血糖。

  公开号：

  WO2005033067A1

文献信息

• Combination of HMG-COA reductase inhibitors, such as roflumilast, roflumilast-N-oxide with a phosphodiesterase 4 inhibitor, rosuvastatin, for the treatment of inflammatory pulmonary diseases
  申请人：Nycomed GmbH

  公开号：EP2359826A1

  公开（公告）日：2011-08-24

  The invention relates to the combined use of a PDE4 inhibitor with a HMG-CoA reductase inhibitor for the preventive and curative treatment of an inflammatory pulmonary disease, wherein the PDE4 inhibitor is selected from the group consisting of ROFLUMILAST, a pharmaceutically acceptable salt of ROFLUMILAST, ROFLUMILAST-N-oxide and a pharmaceutically acceptable salt of ROFLUMILAST-N-oxide, the HMG-CoA reductase inhibitor is ROSUVASTATIN or a pharmaceutically acceptable salt thereof.

  本发明涉及将 PDE4 抑制剂与 HMG-CoA 还原酶抑制剂联合用于预防和治疗炎症性肺病，其中 PDE4 抑制剂选自 ROFLUMILAST、ROFLUMILAST 的药学上可接受的盐、ROFLUMILAST-N-氧化物和 ROFLUMILAST-N-oxide 的药学上可接受的盐组成的组，HMG-CoA 还原酶抑制剂为 ROSUVASTATIN 或其药学上可接受的盐。
• METHODS AND COMPOSITIONS FOR TREATMENT OR PREVENTION OF RADIATION-INDUCED FIBROSIS
  申请人：OH YOUNGMAN

  公开号：US20090069623A1

  公开（公告）日：2009-03-12

  The present invention comprises methods and compositions for the treatment or prevention of radiation-induced fibrosis. Methods and compositions for the inhibition of CTGF are disclosed herein. Methods and compositions for treatment of neoplastic disease are disclosed herein. Inhibition of CTGF in humans or animals that have been exposed to ionizing radiation results in treatment or prevention of radiation-induced fibrosis.
• Combination of HMG-COA Reductase Inhibitors with Phosphodiesterase 4 Inhibitors for the Treatment of Inflammatory Pulmonary Disease
  申请人：Wollin Stefan-Lutz

  公开号：US20100069392A1

  公开（公告）日：2010-03-18

  The invention relates to the combined use of a PDE4 inhibitor with a HMG-CoA reductase inhibitor for the preventive and curative treatment of an inflammatory pulmonary disease.
• STATINS FOR THE TREATMENT OF OCULAR HYPERTENSION AND GLAUCOMA
  申请人：Hellberg Mark R.

  公开号：US20110098314A1

  公开（公告）日：2011-04-28

  The use of HMG-CoA reductase inhibitors (e.g., statins) to treat glaucoma, control intraocular pressure, preserve the trabecular meshwork, protect against ocular neurodegeneration and/or protect against glaucomatous retinopathy is described. The preferred HMG-CoA reductase inhibitors, which are statins having an RI value of 0.2 to 0.7 (e.g., pravastatin), are administered via topical application to the affected eye(s) of the patient.
• Methods and Compositions for Treatment of Tumor Metastasis
  申请人：OH Youngman

  公开号：US20120156216A1

  公开（公告）日：2012-06-21

  The various embodiments of the present invention are directed to methods and compositions for treatment, inhibition or reduction of metastasis in cancers. In particular, the invention is related to compositions and methods affecting connective tissue growth factor (CTGF). An aspect of the present invention comprises a method for interfering with the activity of connective tissue growth factor, comprising, administering to a subject an effective amount of a composition that inhibits production of or activity of connective tissue growth factor (CTGF), wherein the composition interferes with the activity of CTGF or prevents the transcription of CTGF genes or translation of CTGF mRNA. For example, the composition can comprises at least one HMG-CoA reductase inhibitor compound, such as a statin.