[1S(1α, 6β, 7α, 8β, 8αβ)]-octahydro-1,6,7,8-indolizinetetrol 6-butanoate | 1207672-14-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚里西啶
• 英文名称: [1S(1α, 6β, 7α, 8β, 8αβ)]-octahydro-1,6,7,8-indolizinetetrol 6-butanoate
• 英文别名: [1S-(1α, 6β, 7α, 8β, 8αβ) ]octahydro-1,6,7,8indolizinetetrol 6-butanoate；(1S,6S,7S,8R)-1,7,8-trihydroxyoctahydroindolizin-6-yl butyrate；[(1S,6S,7S,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate
• CAS: 1207672-14-7
• 化学式: C₁₂H₂₁NO₅
• 分子量: 259.302
• InChiKey: HTJGLYIJVSDQAE-JYMJPSNXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  90.2
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  栗精胺 以 吡啶 、 甲醇 、 二氯甲烷 、 水 、 丁酰氯 为溶剂， 生成 [1S(1α, 6β, 7α, 8β, 8αβ)]-octahydro-1,6,7,8-indolizinetetrol 6-butanoate
  参考文献：
  名称：

  Anti-herpes castanospermine esters

  摘要：

  公开了某些Castanospermine酯衍生物的化学式：##STR1## 其中R、R.sub.1和R.sub.2各自独立地表示氢、C.sub.1-14脂肪酰基、C.sub.1-14烯酰基、环己烷羰基、C.sub.1-8烷氧基乙酰基、##STR2##萘羰基，可选地被甲基或卤素取代；苯基（C.sub.2-6脂肪酰基），其中苯基可选地被甲基或卤素取代；肉桂酰基；吡啶羰基，可选地被甲基或卤素取代；二氢吡啶羰基，可选地被C.sub.1-C.sub.10烷基取代；噻吩羰基，可选地被甲基或卤素取代；或呋喃羰基，可选地被甲基或卤素取代；Y表示氢、C.sub.1-4烷基、C.sub.1-4烷氧基、卤素、三氟甲基、C.sub.1-4烷基磺酰基、C.sub.1-4烷基硫醇基、氰基或二甲基氨基；Y'表示氢、C.sub.1-4烷基、C.sub.1-4烷氧基、卤素或与Y结合形成3,4-亚甲二氧基；Y"表示氢、C.sub.1-4烷基、C.sub.1-4烷氧基或卤素；其中R、R.sub.1和R.sub.2是这样选择的，至少其中之一，但不超过两个，是氢；被披露为治疗由单纯疱疹病毒（HSV）1型和2型引起的疾病的有效方法。

  公开号：

  US05385911A1

文献信息

• COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS
  申请人：De Moor Olivier

  公开号：US20110195929A1

  公开（公告）日：2011-08-11

  Described are various compounds and methods for the treatment of flaviviral infections. In particular, alkaloids and imino sugars in arabinose and/or lyxose stereochemical configuration with antiflaviviral activity are described.
• TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES
  申请人：De Moor Olivier

  公开号：US20110237538A1

  公开（公告）日：2011-09-29

  Described are various compounds, in particular iminosugars, and methods for the treatment of proteostatic diseases, in particular lysosomal storage disorders. The compound may be a pharmacoperone of an enzyme selected from: (a) Acid alpha-glucosidase; (b) Acid beta-glucosidase; (c) glucocerebrosidase; (d) alpha-Galactosidase A; (e) Acid beta-galactosidase; (f) beta-Hexosaminidase A; (g) beta-Hexosaminidase B; (h) Acid sphingomyelinase; (i) Galactocerebrosidase; (j) Acid ceramidase; (k) Arylsulfatase A; (l) alpha-L-Iduronidase; (m) Iduronate-2-sulfatase; (n) Heparan N-sulfatase; (o) alpha-N-Acetylglucosaminidase; (p) Acetyl-CoA: alpha-glucosaminide N-acetyltransferase; (q) N-Acetylglucosamine-6-sulfate sulfatase; (r) N-Acetylgalactosamine-6-sulfate sulfatase; (s) Acid beta-galactosidase; (t) Arylsulfatase B; (u) beta-Glucuronidase; (v) Acid alpha-mannosidase; (w) Acid beta-mannosidase; (x) Acid alpha-L-fucosidase; (y) Sialidase; and (z) alpha-N-acetylgalactosaminidase.
• Anti-herpes castanospermine esters
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05385911A1

  公开（公告）日：1995-01-31

  Certain Castanospermine ester derivatives of the formula: ##STR1## wherein R, R.sub.1 and R.sub.2 are each independently hydrogen, C.sub.1-14 alkanoyl, C.sub.1-14 alkenoyl, cyclohexanecarbonyl, C.sub.1-8 alkoxyacetyl, ##STR2## naphthalenecarbonyl optionally substituted by methyl or halogen; phenyl (C.sub.2-6 alkanoyl) wherein the phenyl is optionally substituted by methyl or halogen; cinnamoyl; pyridinecarbonyl optionally substituted by methyl or halogen; dihydropyridine carbonyl optionally substituted by C.sub.1 -C.sub.10 alkyl; thiophenecarbonyl optionally substituted by methyl or halogen; or furancarbonyl optionally substituted by methyl or halogen; Y is hydrogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, halogen, trifluoromethyl, C.sub.1-4 alkylsulfonyl, C.sub.1-4 alkylmercapto, cyano or dimethylamino; Y' is hydrogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, halogen or it is combined with Y to give 3,4-methylenedioxy; Y" is hydrogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy or halogen; with R, R.sub.1 and R.sub.2 being selected in such a way that at least one of them, but not more than two of them, is hydrogen; are disclosed to be effective in treating diseases caused by Herpes Simplex Virus (HSV) Types 1 and 2.

  公开了某些Castanospermine酯衍生物的化学式：##STR1## 其中R、R.sub.1和R.sub.2各自独立地表示氢、C.sub.1-14脂肪酰基、C.sub.1-14烯酰基、环己烷羰基、C.sub.1-8烷氧基乙酰基、##STR2##萘羰基，可选地被甲基或卤素取代；苯基（C.sub.2-6脂肪酰基），其中苯基可选地被甲基或卤素取代；肉桂酰基；吡啶羰基，可选地被甲基或卤素取代；二氢吡啶羰基，可选地被C.sub.1-C.sub.10烷基取代；噻吩羰基，可选地被甲基或卤素取代；或呋喃羰基，可选地被甲基或卤素取代；Y表示氢、C.sub.1-4烷基、C.sub.1-4烷氧基、卤素、三氟甲基、C.sub.1-4烷基磺酰基、C.sub.1-4烷基硫醇基、氰基或二甲基氨基；Y'表示氢、C.sub.1-4烷基、C.sub.1-4烷氧基、卤素或与Y结合形成3,4-亚甲二氧基；Y"表示氢、C.sub.1-4烷基、C.sub.1-4烷氧基或卤素；其中R、R.sub.1和R.sub.2是这样选择的，至少其中之一，但不超过两个，是氢；被披露为治疗由单纯疱疹病毒（HSV）1型和2型引起的疾病的有效方法。