3-(3,4-二羟基-苯基)-丙醛 | 545442-98-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 3-(3,4-二羟基-苯基)-丙醛
• 英文名称: dihydrocaffeyl aldehyde
• 英文别名: 3-(3,4-dihydroxy-phenyl)-propionaldehyde；3-(3,4-Dihydroxy-phenyl)-propionaldehyd；3-(3,4-Dihydroxyphenyl)propanal
• CAS: 545442-98-6
• 化学式: C₉H₁₀O₃
• mdl: MFCD09028595
• 分子量: 166.177
• InChiKey: HVIBSLHISRRALT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2912499000

反应信息

• 作为反应物：
  描述：

  3-(3,4-二羟基-苯基)-丙醛 在 palladium on activated charcoal 氨 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 1-[3-(3,4-Dihydroxyphenyl)propyl]-3-(2-phenylethyl)-1-propan-2-ylthiourea
  参考文献：
  名称：

  Synthesis of N,N′,N″-trisubstituted thiourea derivatives and their antagonist effect on the vanilloid receptor

  摘要：

  Twenty-seven N,N',N"-trisubstituted thiourea derivatives were prepared. Among them, 1-[3-(4'-hydroxy-3'-methoxy- phenyl)-propyl]-1.3-diphenethyl-thiourea (81, IC50=0.32 muM), showed 2-fold higher antagonistic actively than that of capsazepine (3, IC50 = 0.65 muM) against the,anilloid receptor in a Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01040-5
• 作为产物：
  描述：

  3, 4-dihydroxylcinnamaldehyde 在 Plagiochasma appendiculatum alkenal double bond reductase 2 、 还原型辅酶II(NADPH)四钠盐 作用下， 以 aq. phosphate buffer 为溶剂， 反应 0.5h， 生成 3-(3,4-二羟基-苯基)-丙醛
  参考文献：
  名称：

  A single amino acid determines the catalytic efficiency of two alkenal double bond reductases produced by the liverwortPlagiochasma appendiculatum

  摘要：

  Alkenal double bond reductases (DBRs) catalyze the NADPH‐dependent reduction of the α,β‐unsaturated double bond of many secondary metabolites. Two alkenal double bond reductase genes PaDBR1 and PaDBR2 were isolated from the liverwort species Plagiochasma appendiculatum. Recombinant PaDBR2 protein had a higher catalytic activity than PaDBR1 with respect to the reduction of the double bond present in hydroxycinnamyl aldehydes. The residue at position 56 appeared to be responsible for this difference in enzyme activity. The functionality of a C56 to Y56 mutation in PaDBR1 was similar to that of PaDBR2. Further site‐directed mutagenesis and structural modeling suggested that the phenol ring stacking between this residue and the substrate was an important determinant of catalytic efficiency.

  DOI：

  10.1016/j.febslet.2013.07.051

文献信息

• [EN] PRODRUG BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS<br/>[FR] PROMÉDICAMENT BIPYRIDYLAMINOPYRIDINES EN TANT QU'INHIBITEURS DE SYK
  申请人：MERCK SHARP & DOHME

  公开号：WO2014074421A1

  公开（公告）日：2014-05-15

  The present invention provides compounds of Formula (I), which are prodrugs of trans-4-[(1R)-(6-[4-(difluoromethyl)pyridin-2-yl]amino}-4-methyl-2,3'-bipyridin-6'-yl)-1-hydroxyethyl]cyclohexanecarboxylic acid, a potent inhibitor of Syk. The compounds are useful in the treatment and prevention of diseases mediated by the enzyme, such as asthma, COPD, rheumatoid arthritis and cancer.

  本发明提供了化合物的公式（I），这些化合物是trans-4-[(1R)-(6-[4-(二氟甲基)吡啶-2-基]氨基}-4-甲基-2,3'-联吡啶-6'-基)-1-羟乙基]环己烷羧酸的前药，是Syk的有效抑制剂。这些化合物在治疗和预防由该酶介导的疾病方面非常有用，如哮喘、慢性阻塞性肺病、类风湿性关节炎和癌症。
• Antiviral peptides having a 2-oxoalkyl amino acid side chain
  申请人：BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC.

  公开号：EP0411332A1

  公开（公告）日：1991-02-06

  Disclosed herein are peptide derivatives of the formula X[-NR¹-CH(R²)-C(W¹)]n-NH-CR³(R⁴)-C(W²)-NR⁵-CH[CH₂C(O)-Y]-­C(W³)-NH-CR⁶-[CR⁷(R⁸)-COOH]-C(W⁴)-NH-CR⁹(R¹⁰)-Z wherein X is a terminal group, for example, alkanoyl or phenylalkanoyl radicals, R¹ is hydrogen, alkyl or phenylalkyl, R², R⁴ and R¹° are selected from amino acid or derived amino acid residues, R³, R⁵, R⁶, R⁷, R⁸ and R⁹ are hydrogen or alkyl, or R⁷ and R⁸ are joined to form a cycloalkyl, W¹, W², W³ and W⁴ are oxo or thioxo, Y is, for example, an alkyl or a cycloalkyl, Z is a terminal group, for example, COOH or CH₂OH, and n is 0 or 1. The derivatives are useful for treating herpes infections.

  本文公开了式 X[-NR¹-CH(R²)-C(W¹)]n-NH-CR³(R⁴)-C(W²)-NR⁵-CH[CH₂C(O)-Y]-C(W³)-NH-CR⁶-[CR⁷(R⁸)-COOH]-C(W⁴)-NH-CR⁹(R¹⁰)-Z 的肽衍生物，其中 X 是末端基团、例如烷酰基或苯基烷酰基，R¹ 是氢、烷基或苯基烷基，R²、R⁴和 R¹° 选自氨基酸或衍生氨基酸残基，R³、R⁵、R⁶、R⁷、R⁸和 R𠞙 为氢或烷基，或 R⁷ 和 R⁸ 连接形成环烷基、W¹、W²、W³ 和 W⁴ 是氧代或硫代，Y 是例如烷基或环烷基，Z 是末端基团，例如 COOH 或 CH₂OH，n 是 0 或 1。这些衍生物可用于治疗疱疹感染。
• Compositions and methods for treating cardiovascular disease
  申请人：Genentech, Inc.

  公开号：US10787484B2

  公开（公告）日：2020-09-29

  The invention provides PCSK9 inhibitors, compositions comprising the PCSK9 inhibitors, and methods of identifying and using the PCSK9 inhibitors.

  本发明提供了 PCSK9 抑制剂、包含 PCSK9 抑制剂的组合物以及鉴定和使用 PCSK9 抑制剂的方法。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• Buecking,W., Diss. <Leipzig 1928> S. 61, 63
  作者：Buecking,W.

  DOI：——

  日期：——