N-Bn-Thr | 890131-87-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-Bn-Thr
• 英文别名: N-benzylthreonine；2-(Benzylamino)-3-hydroxybutanoic acid
• CAS: 890131-87-0
• 化学式: C₁₁H₁₅NO₃
• 分子量: 209.245
• InChiKey: CNVHWCWOUHXSLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R,R)-Jacobsen catalyst 、 N-Bn-Thr 以 二氯甲烷 、 水 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  通过亲脂性手性salen-钴（III）络合物的液-液萃取来拆分外消旋N-苄基α-氨基酸的实用方法。

  摘要：

  DOI：

  10.1002/anie.200504116

文献信息

• Renin-inhibiting functionalized peptidyl aminodiols and - triols
  申请人：ABBOTT LABORATORIES

  公开号：EP0341602A2

  公开（公告）日：1989-11-15

  A renin inhibiting compound of the formula: or a pharmaceutically acceptable salt, ester or prodrug thereof.

  一个公式为的抑制肾素的化合物： 或其药用可接受的盐、酯或前药。
• [EN] DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS<br/>[FR] COMPOSÉS DIHYDROPYRIMIDINE ET LEUR APPLICATION DANS DES PRODUITS PHARMACEUTIQUES
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2015144093A1

  公开（公告）日：2015-10-01

  Provided herein are dihydropyrimidine compounds and their pharmaceutical applications, especially for use in treating and preventing HBV diseases. Specifically, provided herein are compounds having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof, wherein the variables of the formulas are as defined in the specification. Also provided herein is the use of the compounds having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof for treating and preventing HBV diseases.

  本文提供了二氢嘧啶化合物及其药物应用，特别是用于治疗和预防HBV疾病。具体而言，本文提供了具有化学式（I）或（Ia）的化合物，或其对映体、二对映体、互变异构体、水合物、溶剂合物或其药用可接受的盐，其中化学式的变量如规范中所定义。本文还提供了使用具有化学式（I）或（Ia）的化合物，或其对映体、二对映体、互变异构体、水合物、溶剂合物或其药用可接受的盐来治疗和预防HBV疾病。
• Functionalized peptidyl aminodiols and -triols
  申请人：ABBOTT LABORATORIES

  公开号：EP0230266A2

  公开（公告）日：1987-07-29

  The invention relates to renin inhibiting compounds of the formula wherein A is hydrogen; loweralkyl; arylalkyl; OR₈ or SR₈ wherein R₈ is hydrogen, loweralkyl or aminoalkyl; NR₉R₁₀ wherein R₉ and R₁₀ are independently selected from hydrogen, loweralkyl, aminoalkyl, cyanoalkyl and hydroxyalkyl; wherein B is NH, alkylamino, S, O, CH₂ or CHOH and R₁₁ is loweralkyl, cycloalkyl, aryl, arylalkyl, alkoxy, alkenyloxy, hydroxyalkoxy, dihydroxyalkoxy, arylalkoxy, arylalkoxyalkyl, amino, alkylamino, dialkylamino, (hydroxyalkyl)(alkyl)amino, (dihydroxy­alkyl)(alkyl)amino, carboxylic acid-substituted alkyl, alkoxycarbonylalkyl, aminoalkyl, N-protected aminoalkyl, alkylaminoalkyl, dialkylaminoalkyl, (N-protected)­ alkyl)aminoalkyl, (heterocyclic)alkyl or a substituted or unsubstituted heterocyclic; R₁ is loweralkyl, cycloalkylmethyl, benzyl, α-methylbenzyl, α, α-di­methylbenzyl, 4-methoxybenzyl, halobenzyl, (1-naphthyl)­methyl, (2-naphthyl)methyl, (4-imidazoyl)methyl, phenethyl, phenoxy, thiophenoxy or anilino; provided if R₁ is phenoxy, thiophenoxy or anilino, B is CH₂ or CHOH or A is hydrogen; R₃ is loweralkyl, benzyl or heterocyclic ring-substituted methyl; R₄ is lower­alkyl, cycloalkyl- methyl or benzyl; R₂, R₅ and R₆ are independently hydrogen or loweralkyl; X is O, NH or S; R₇ is hydrogen, loweralkyl, alkanoyl, alkylsulfonyl. wherein R₁₂ and R₁₃ are independently hydrogen or loweralkyl, n is 0-2 and R₁₄ is substituted or unsubstituted penyl or heterocyclic; or XR₇ together are loweralkylsulfonyl, N₃ or Cl, and pharmaceutically acceptable salts thereof.

  本发明涉及式中的肾素抑制化合物 其中 A 是氢；低级烷基；芳基烷基；OR₈或 SR₈，其中 R₈ 是氢、低级烷基或氨基烷基；NR₉R₁₀，其中 R₉ 和 R₁₀ 独立选自氢、低级烷基、氨基烷基、氰基烷基和羟基烷基； 其中 B 是 NH、烷基氨基、S、O、CH₂ 或 CHOH，R₁₁ 是低级烷基、环烷基、芳基、芳烷基、烷氧基、烯氧基、羟基烷氧基、二羟基烷氧基、芳基烷氧基、芳基烷氧基烷基、氨基、烷基氨基、二烷基氨基、(羟基烷基)(烷基)氨基、(二羟基烷基)(烷基)氨基、(二羟基烷基)(烷基)氨基、羧酸取代的烷基、烷氧羰基烷基、氨基烷基、N-保护氨基烷基、烷基氨基烷基、二烷基氨基烷基、(N-保护)烷基)氨基烷基、(杂环)烷基或取代或未取代的杂环；R₁ 是低级烷基、环烷基甲基、苄基、α-甲基苄基、α、α-二甲基苄基、4-甲氧基苄基、卤代苄基、(1-萘基)甲基、(2-萘基)甲基、(4-咪唑酰基)甲基、苯乙基、苯氧基、噻吩氧基或苯胺基；如果 R₁ 是苯氧基、噻吩氧基或苯胺基，则 B 是 CH₂ 或 CHOH 或 A 是氢；R₃ 是低级烷基、苄基或杂环取代的甲基；R₄ 是低级烷基、环烷基-甲基或苄基；R₂、R₅ 和 R₆ 独立地是氢或低级烷基；X 是 O、NH 或 S；R₇ 是氢、低级烷基、烷酰基、烷基磺酰基。 其中 R₁₂ 和 R₁₃ 独立地为氢或低级烷基，n 为 0-2 且 R₁₄ 为取代或未取代的戊基或杂环；或 XR₇ 一起为低级烷基磺酰基、N₃ 或 Cl 及其药学上可接受的盐。
• Polypeptides
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0315367A2

  公开（公告）日：1989-05-10

  The invention relates to a polypeptide of formula I:- wherein each of the generic terms is disclosed in full in the specification and includes:-R1 is (2-6C)alkanoyl or (1-4C)alkoxycarbonyl; A1 is a direct link to A2, or is Gly or Arg; A2 is a direct link to A3, or is Gly or Pro; A3 is a direct link to A4, or is Lys or Lys(Z); A4 is His or D-His; A5 is Trp or MeTrp; A6 is Ala or MeAla; A7 is Val or MeVal; A8 is Gly or Sar; A9 is His or MeHis; and Q is a group of the formula -A10.R2 in which A10 is Leu or D-Leu and R2 is hydroxy, amino, (1-3C)alkylamino or (1-3C)alkoxy; or Q is (1-6C)alkoxy or (1-10C)-alkylamino; provided that when R1 is acetyl and -A4-A5-A6-A7-A8-A9-Q is -His-Trp-Ala-Val-Gly-His-Leu-NH2 then -A1-A2-A3- is not a direct link to His. The compounds possess antagonist properties against bombesin-like peptides and are of value in the treatment of malignant disease in warm-blooded animals.

  本发明涉及式 I 的多肽 其中各通式在说明书中已全部公开，包括-R1是(2-6C)烷酰基或(1-4C)烷氧羰基；A1是与A2的直接连接，或者是Gly或Arg；A2是与A3的直接连接，或者是Gly或Pro；A3是与A4的直接连接，或者是Lys或Lys(Z)；A4 是 His 或 D-His；A5 是 Trp 或 MeTrp；A6 是 Ala 或 MeAla；A7 是 Val 或 MeVal；A8 是 Gly 或 Sar；A9 是 His 或 MeHis；以及 Q 是式 -A10 的基团。其中 A10 是 Leu 或 D-Leu，R2 是羟基、氨基、(1-3C)烷基氨基或(1-3C)烷氧基；或 Q 是(1-6C)烷氧基或(1-10C)-烷基氨基； 条件是当 R1 为乙酰基且-A4-A5-A6-A7-A8-A9-Q 为-His-Trp-Ala-Val-Gly-His-Leu-NH2 时，-A1-A2-A3- 不是与 His 的直接连接。 这些化合物具有拮抗蚕豆蛋白样肽的特性，在治疗温血动物的恶性疾病方面具有重要价值。
• Polypeptide compounds
  申请人：ZENECA LIMITED

  公开号：EP0345990A2

  公开（公告）日：1989-12-13

  The invention relates to a polypeptide of formula I:- R¹-CO-A¹-A²-A³-A³-A⁴-A⁵-A⁶-Q      I wherein each of the generic terms is disclosed in full in the specification and includes:- R¹ is a 5- or 6-membered unsaturated heterocyclic ring which contains one, two or three nitrogen atoms, which ring may optionally bear one or two substituents; A¹ is a direct link to A², or is His or D-His; A² is Trp or MeTrp; A³ is Ala or MeAla; A⁴ is Val; A⁵ is Gly or D-Ala; A⁶ is His or Lys(Z); and Q is a group of the formula -A⁷.R² in which A⁷ is Leu or MeLeu and R² is hydroxy, amino, (1-3C)alkylamino or (1-­3C)alkoxy; or Q is (1-6C)alkoxy or (1-10C)alkylamino. The compounds possess antagonist properties against bombesin-like peptides and are of value in the treatment of malignant disease in warm-blooded animals.

  本发明涉及式 I 的多肽 r¹-co-a¹-a²-a³-a³-a⁴-a⁵-a⁶-q i 其中每个通用术语在说明书中均有完整披露，包括 R¹ 是含有一个、两个或三个氮原子的 5 元或 6 元不饱和杂环，该环可任意带有一个或两个取代基；A¹ 与 A² 直接相连，或者是 His 或 D-His；A² 是 Trp 或 MeTrp；A³ 是 Ala 或 MeAla；A⁴ 是 Val；A⁵ 是 Gly 或 D-Ala；A⁶ 是 His 或 Lys(Z)；以及 Q 是式 -A⁷ 的基团。其中 A⁷ 是 Leu 或 MeLeu，R² 是羟基、氨基、(1-3C)烷基氨基或(1-3C)烷氧基；或 Q 是 (1-6C)alkoxy 或 (1-10C)烷基氨基。 这些化合物具有拮抗炸弹素样肽的特性，在治疗温血动物的恶性疾病方面具有价值。