(5R)-( (3S,3aR,6S,6aR)-6-(tetrahydro-2H-pyran-2-yloxy) hexahydrofuro[3,2-b]furan-3-yl) 5,6-bis(nitrooxy)hexanoate | 1178531-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃类
• 英文名称: (5R)-( (3S,3aR,6S,6aR)-6-(tetrahydro-2H-pyran-2-yloxy) hexahydrofuro[3,2-b]furan-3-yl) 5,6-bis(nitrooxy)hexanoate
• 英文别名: (3S,3aR,6S,6aR)-6-(tetrahydro-2H-pyran-2-yloxy)hexahydrofuro[3,2-b]furan-3-yl 5R,6-bis(nitrooxy)hexanoate；(5R)-((3S,3aR,6S,6aR)-6-(tetrahydro-2H-pyran-2-yloxy)hexahydrofuro[3,2-b]furan-3-yl) 5,6-bis(nitrooxy)hexanoate；[(3S,3aR,6S,6aR)-3-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (5R)-5,6-dinitrooxyhexanoate
• CAS: 1178531-64-0
• 化学式: C₁₇H₂₆N₂O₁₂
• 分子量: 450.4
• InChiKey: VVUPDUNRXPZUMR-KTBVHRJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  173
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 、 1,4:3,6-dianhydro-L-iditol 在 4-二甲氨基吡啶 、 对甲苯磺酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 生成 (5R)-( (3S,3aR,6S,6aR)-6-(tetrahydro-2H-pyran-2-yloxy) hexahydrofuro[3,2-b]furan-3-yl) 5,6-bis(nitrooxy)hexanoate
  参考文献：
  名称：

  [EN] ANGIOTENSIN II RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DES RÉCEPTEURS DE L'ANGIOTENSINE II

  摘要：

  一种具有结构（I）的化合物，其中R是从（IIa）-（IIh）组成的羧肽II受体拮抗剂；A是（Formula），其中R1和R2分别选择自氢和C1-4烷基组成的群；Y是X0-Z，其中X0选择自以下组成的群：-O-、-O-CO-、-OCOO-、-OCONH-和-OSO2-；Z是一种释放一氧化氮的基团，或其药用可接受盐。

  公开号：

  WO2009150007A1

文献信息

• [EN] NITRIC OXIDE DONOR COMPOUNDS<br/>[FR] COMPOSÉS DONNEURS D'OXYDE NITRIQUE
  申请人：NICOX SA

  公开号：WO2009098113A1

  公开（公告）日：2009-08-13

  The invention relates to nitric oxide donors of the formula (I) and pharmaceutically acceptable salts or stereoisomers thereof : wherein A and A' are independently selected from the group consisting of H and -(X)s-Y with the proviso that at least one of A or A' is not H; wherein s is 0 or 1; X is selected from the group consisting of : -CO-, -COO-, -CONH- and -SO2- or (A); Y is straight or branched C1-C20 alkyl chain, preferably C1- C10 alkyl chain, substituted with one or two -ONO2; or C1-C6 alkylenoxy- C1-C5 alkyl wherein the alkyl group is substituted by one or two -ONO2 groups. The invention also provides novel compositions comprising at least one compound of the invention and at least one therapeutic agent.

  该发明涉及化学式(I)的一氧化氮供体及其药用盐或立体异构体：其中A和A'分别选自H和-(X)s-Y组成的组，但至少其中之一不是H；其中s为0或1；X选自以下组成的组：-CO-，-COO-，-CONH-和-SO2-或(A)；Y是直链或支链的C1-C20烷基链，优选C1-C10烷基链，取代有一个或两个-ONO2基团；或C1-C6烷氧基-C1-C5烷基，其中烷基基团取代有一个或两个-ONO2基团。该发明还提供了包括至少一种该发明化合物和至少一种治疗剂的新型组合物。
• ANGIOTENSIN II RECEPTOR ANTAGONISTS
  申请人：Almirante Nicoletta

  公开号：US20110077279A1

  公开（公告）日：2011-03-31

  A compound having the structure wherein R is an angiotensin II receptor antagonist selected from the group consisting of (IIa)-(IIh); A is wherein R 1 and R 2 are independently selected from the group consisting of hydrogen and C 1-4 alkyl. Y is X 0 —Z wherein X 0 is selected from the group consisting of: —O—, —O—CO—, —OCOO—, —OCONH— and —OSO 2 —; Z is a nitric oxide releasing moiety, or a pharmaceutically acceptable salt thereof.

  一种化合物具有以下结构：其中R是从（IIa）-（IIh）组中选择的血管紧张素II受体拮抗剂；A是，其中R1和R2独立地选择自氢和C1-4烷基的组；Y是X0-Z，其中X0是从以下组中选择的：—O—，—O—CO—，—OCOO—，—OCONH—和—OSO2—；Z是一种释放一氧化氮的基团，或其药学上可接受的盐。
• Nitric oxide donor compounds
  申请人：Nicox S.A.

  公开号：US08003811B2

  公开（公告）日：2011-08-23

  The invention relates to nitric oxide donors of the formula (I) and pharmaceutically acceptable salts or stereoisomers thereof: wherein A and A′ are independently selected from the group consisting of H and —(X)s—Y with the proviso that at least one of A or A′ is not H; wherein s is 0 or 1; X is selected from the group consisting of: —CO—, —COO—, —CONH— and —SO2— or Y is straight or branched C1-C20 alkyl chain, preferably C1-C10 alkyl chain, substituted with one or two —ONO2; or C1-C6 alkylenoxy-C1-C5 alkyl wherein the alkyl group is substituted by one or two —ONO2 groups. The invention also provides novel compositions comprising at least one compound of the invention and at least one therapeutic agent.

  本发明涉及公式（I）的一氧化氮供体及其药学上可接受的盐或立体异构体：其中A和A′独立地选自H和—（X）s—Y所组成的群，但至少其中之一不是H；其中s为0或1；X选自以下群：—CO—，—COO—，—CONH—和—SO2—或Y为直链或支链的C1-C20烷基链，优选为C1-C10烷基链，其上取代有一或两个—ONO2；或C1-C6烷氧基-C1-C5烷基，其中烷基上取代有一或两个—ONO2基团。本发明还提供了包含本发明中至少一种化合物和至少一种治疗剂的新型组合物。
• NITRIC OXIDE DONOR COMPOUNDS
  申请人：Almirante Nicoletta

  公开号：US20100249189A1

  公开（公告）日：2010-09-30

  The invention relates to nitric oxide donors of the formula (I) and pharmaceutically acceptable salts or stereoisomers thereof: wherein A and A′ are independently selected from the group consisting of H and —(X) S —Y with the proviso that at least one of A or A′ is not H; wherein s is 0 or 1; X is selected from the group consisting of: —CO—, —COO—, —CONH— and —SO 2 — or Y is straight or branched C 1 -C 20 alkyl chain, preferably C 1 -C 10 alkyl chain, substituted with one or two —ONO 2 ; or C 1 -C 6 alkylenoxy-C 1 -C 5 alkyl wherein the alkyl group is substituted by one or two —ONO 2 groups. The invention also provides novel compositions comprising at least one compound of the invention and at least one therapeutic agent.

  本发明涉及公式（I）的一氧化氮供体及其药学上可接受的盐或立体异构体：其中A和A'分别独立地选自H和—（X）S—Y组成的群，但其中至少一个不是H；其中s为0或1；X选自以下组成的群：—CO—、—COO—、—CONH—和—SO2—，或Y是直链或支链的C1-C20烷基链，优选C1-C10烷基链，其中一个或两个—ONO2取代，或者是C1-C6烷氧基-C1-C5烷基，其中烷基取代一个或两个—ONO2基团。本发明还提供了包含本发明中至少一种化合物和至少一种治疗剂的新型组合物。
• US8003811B2
  申请人：——

  公开号：US8003811B2

  公开（公告）日：2011-08-23