2-[(2S)-2-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)-ethyl]amino]-1,2,3,4-tetrahydronaphthalen-7-yloxy]-N,N-dimethylacetamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-[(2S)-2-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)-ethyl]amino]-1,2,3,4-tetrahydronaphthalen-7-yloxy]-N,N-dimethylacetamide
• 英文别名: 2-[(2S)-2-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-1,2,3,4-tetrahydronaphthalen-7-yloxy]-N,N-dimethylacetamide；2-[[(7S)-7-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide
• 化学式: C₂₂H₂₈N₂O₄
• 分子量: 384.475
• InChiKey: BVVIJEAJJRGMGO-RXVVDRJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  82
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(2S)-2-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)-ethyl]amino]-1,2,3,4-tetrahydronaphthalen-7-yloxy]-N,N-dimethylacetamide 、 盐酸 以 乙醇 为溶剂， 以gave 2-[(2S)-2-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-1,2,3,4-tetrahydronaphthalen-7-yloxy]-N,N-dimethylacetamide hydrochloride (100 mg)的产率得到2-[(2S)-2-[[(2R)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl]-amino]-1,2,3,4-tetrahydronaphthalen-7-yloxy]-N,N-dimethylacetamide hydrochloride
  参考文献：
  名称：

  Phenylethanolaminotetralincarboxamide derivatives

  摘要：

  本发明涉及一种由通式所表示的苯乙醇胺四环酰胺衍生物：##STR1##（其中A代表较低的烷基链；B代表氨基、二（较低的烷基）氨基或3至7成员的脂环氨基，该环中可能含有一个氧原子；标有*的碳原子代表（R）构型、（S）构型或它们的混合物中的一个碳原子；标有（S）的碳原子代表（S）构型的碳原子），以及其药学上可接受的盐，具有选择性β2肾上腺素能受体刺激作用，并减轻对心脏的负担，如心动过速，可用作预防威胁性流产和早产、支气管扩张剂、疼痛缓解剂和促进尿路结石排出剂。

  公开号：

  US06046192A1
• 作为产物：
  描述：

  2-[(2S)-2-[[(2R)-2-(4-Benzyloxyphenyl)-2-hydroxyethyl]-amino]-1,2,3,4-tetrahydronaphthalen-7-yloxy]-N,N-dimethylacetamide 在 钯 氢气 、 甲醇 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以gave 2-[(2S)-2-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-1,2,3,4-tetrahydronaphthalen-7-yloxy]-N,N-dimethylacetamide (200 mg)的产率得到2-[(2S)-2-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)-ethyl]amino]-1,2,3,4-tetrahydronaphthalen-7-yloxy]-N,N-dimethylacetamide
  参考文献：
  名称：

  Phenylethanolaminotetralincarboxamide derivatives

  摘要：

  本发明涉及一种由通式所表示的苯乙醇胺四环酰胺衍生物：##STR1##（其中A代表较低的烷基链；B代表氨基、二（较低的烷基）氨基或3至7成员的脂环氨基，该环中可能含有一个氧原子；标有*的碳原子代表（R）构型、（S）构型或它们的混合物中的一个碳原子；标有（S）的碳原子代表（S）构型的碳原子），以及其药学上可接受的盐，具有选择性β2肾上腺素能受体刺激作用，并减轻对心脏的负担，如心动过速，可用作预防威胁性流产和早产、支气管扩张剂、疼痛缓解剂和促进尿路结石排出剂。

  公开号：

  US06046192A1

文献信息

• Process for preparing compounds containing a hydronaphtalene structure with an unsymmetrically substituted benzene ring
  申请人：Solvias AG

  公开号：EP2098511A1

  公开（公告）日：2009-09-09

  Process for preparing a compound according to formula (I) or (Ia) in a high enantiomeric excess, the process comprising reacting a nucleophile of formula R1NHR2 with a chiral compound of formula (II), in the form of a racemate, wherein R1, R2, X, Y, T and U are defined as above, in the presence of a rhodium-based catalytic system which comprises a chiral diphosphine ligand. New compounds made by that process. Use of that process or those compounds for preparing active pharmaceutical ingredients (APIs).

  制备高对映体过量的公式(I)或(Ia)化合物的过程，包括将公式(II)的手性化合物与公式R1NHR2的亲核试剂反应，其中R1、R2、X、Y、T和U的定义如上所述，以光学异构体的形式存在，存在于以手性双膦配体为基础的铑催化系统中。由该过程制备的新化合物。使用该过程或这些化合物制备活性药物成分(APIs)。
• PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES
  申请人：Kissei Pharmaceutical Co. Ltd.

  公开号：EP0893432A1

  公开（公告）日：1999-01-27

  The present invention relates to a phenylethanolaminotetralincarboxamide derivative represented by the general formula: (wherein A represents a lower alkylene group; B represents an amino group, a di(lower alkyl)amino group or a 3 to 7-membered alicyclic amino group which may contain an oxygen atom in the ring; the carbon atom marked with * represents a carbon atom in (R) configuration, (S) configuration or a mixture thereof; and the carbon atom marked with (S) represents a carbon atom in (S) configuration) and a pharmaceutically acceptable salt thereof, which have a selective β2-adrenergic receptor stimulating effect with relieved burdens on the heart such as tachycardia and are useful as an agent for the prevention of threatened abortion and premature labor, a bronchodilator, and an agent for pain remission and promoting stone removal in urolithiasis.

  本发明涉及一种由通式表示的苯乙醇胺四氢甲酰胺衍生物： (其中 A 代表低级亚烷基；B 代表氨基、二(低级烷基)氨基或环中可能含有氧原子的 3 至 7 元脂环氨基；标有 * 的碳原子代表(R)构型、(S)构型或其混合物中的碳原子；标记为(S)的碳原子代表(S)构型的碳原子）及其药学上可接受的盐，它们具有选择性β2-肾上腺素能受体刺激作用，可减轻心动过速等心脏负担，可用作预防妊娠流产和早产的药物、支气管扩张剂、缓解疼痛的药物以及促进泌尿系统结石清除的药物。
• PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASE ASSOCIATED WITH TEAR REDUCTION
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP2123268A1

  公开（公告）日：2009-11-25

  The present invention provides pharmaceutical compositions for the prevention or treatment of diseases associated with decrease in tear. The present invention provides pharmaceutical compositions for the prevention or treatment of diseases associated with decrease in tear such as dry eye, dry disorders of cornea and conjunctiva, disorders of the keratoconjunctival epithelium, syndrome with decrease in tear secretion, xerophthalmia, dry eye due to aging, ophthalmopathy in Stevens-Johnson syndrome, ophthalmopathy in Sjögren's syndrome, keratoconjunctival ulcer, dryness in wearing of contact lens or the like, which comprises as an active ingredient a phenylethanolaminotetralincarboxamide derivative represented by the general formula (I) wherein A represents a lower alkylene group, B represents an amino group, a di(lower alkyl)amino group or a 3 to 7-membered alicyclic amino group which may have an oxygen atom in the ring, a carbon atom with the mark "*" represents a carbon atom of S-configuration or R-configuration, or a mixture thereof and a carbon atom with (S) represents a carbon atom of S-configuration, or a pharmaceutically acceptable salt thereof.

  本发明提供了用于预防或治疗与泪液减少有关的疾病的药物组合物。 本发明提供了用于预防或治疗与泪液减少有关的疾病的药物组合物，如干眼症、角膜和结膜干燥病、角结膜上皮病变、泪液分泌减少综合征、干眼症、衰老引起的干眼症、史蒂文斯-约翰逊综合征的眼病、斯约格伦综合征的眼病、角结膜溃疡、配戴隐形眼镜时的干燥症等、其中 A 代表低级亚烷基，B 代表氨基、二(低级烷基)氨基或环中可能有氧原子的 3 至 7 元脂环氨基，标有 "*"的碳原子代表 S-构型或 R-构型的碳原子，或它们的混合物，标有(S)的碳原子代表 S-构型的碳原子，或它们的药学上可接受的盐。
• Pharmaceutical Composition for Prevention or Treatment of Disease Associated with Tear Reduction
  申请人：Kobayashi Mamoru

  公开号：US20110092509A1

  公开（公告）日：2011-04-21

  The present invention provides pharmaceutical compositions for the prevention or treatment of diseases associated with decrease in tear. The present invention provides pharmaceutical compositions for the prevention or treatment of diseases associated with decrease in tear such as dry eye, dry disorders of cornea and conjunctiva, disorders of the keratoconjunctival epithelium, syndrome with decrease in tear secretion, xerophthalmia, dry eye due to aging, ophthalmopathy in Stevens-Johnson syndrome, ophthalmopathy in Sjögren's syndrome, keratoconjunctival ulcer, dryness in wearing of contact lens or the like, which comprises as an active ingredient a phenylethanolaminotetralin-carboxamide derivative represented by the general formula (I) wherein A represents a lower alkylene group, B represents an amino group, a di(lower alkyl)amino group or a 3 to 7-membered alicyclic amino group which may have an oxygen atom in the ring, a carbon atom with the mark “*” represents a carbon atom of S-configuration or R-configuration, or a mixture thereof and a carbon atom with (S) represents a carbon atom of S-configuration, or a pharmaceutically acceptable salt thereof.
• US6046192A
  申请人：——

  公开号：US6046192A

  公开（公告）日：2000-04-04