2,3-二甲氧基苯乙酸 | 90-53-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,3-二甲氧基苯乙酸
• 中文别名: 2,3-甲氧基苯乙酸
• 英文名称: 2,3-dimethoxyphenylacetic acid
• 英文别名: (2,3-Dimethoxy-phenyl)-essigsaeure；2-(2,3-dimethoxyphenyl)acetic acid
• CAS: 90-53-9
• 化学式: C₁₀H₁₂O₄
• 分子量: 196.203
• InChiKey: UZULEJNWMHZSGY-UHFFFAOYSA-N

物化性质

• 熔点：
  82-84°C
• 沸点：
  235-240 C
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2918990090
• WGK Germany：
  3
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H302,H319
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  2,3-二甲氧基苯乙酸 在 氯化亚砜 、 五氯化磷 作用下， 反应 48.0h， 生成 3,4-二氢罂粟碱
  参考文献：
  名称：

  苄基异喹啉在大鼠平滑肌中诱导的钙进入的选择性抑制。

  摘要：

  为了确定使这些化合物具有非特异性作用（如罂粟碱）或抑制钙通过潜在操纵通道的活性的最低结构要求，研究了六个苄基异喹啉的松弛活性机制。所有生物碱均测试了全部或部分松弛的KCl去极化的大鼠子宫并抑制了催产素引起的节律性收缩。只有青霉素和月桂肌苷比催产素诱导的子宫收缩更能抑制K（+）引起的子宫收缩。在不含Ca（+）的培养基中，催产素或钒酸盐诱导的持续收缩通过除甘草酸和月桂糖苷以外的生物碱测试而得到缓解，这表明对细胞内钙的释放没有抑制作用。那些含有不饱和杂环的生物碱（罂粟碱，罂粟碱，

  DOI：

  10.1111/j.2042-7158.1992.tb03617.x
• 作为产物：
  描述：

  2-(2,3-二甲氧基苯基)-2-羟基乙腈 在 氢碘酸 作用下， 生成 2,3-二甲氧基苯乙酸
  参考文献：
  名称：

  Dexamethasone prophylaxis of nausea and vomiting after epidural morphine for post-Cesarean analgesia

  摘要：

  Purpose: To determine the minimum effective dose of dexamethasone in preventing nausea and vomiting associated with epidural morphine for post-Cesarean analgesia.Method: One hundred and eighty parturients (n=45 in each of four groups) requiring epidural morphine for post Cesarean analgesia were enrolled in this randomized, double blinded, placebo-controlled study. At the end of surgery, parturients received either dexamethasone, at doses of 10 mg, 5 mg, 2.5 mg, or saline iv. Three milligrams epidural morphine were given to all parturients for postoperative analgesia, The incidence of PONV and side effects were estimated for 24 hr after delivery by blinded, trained nurse anesthetists.Results: Parturients who received dexamethasone, either 10 mg or 5 mg were different from those who received saline alone in the following parameters: the total incidence of nausea and vomiting, incidence of > 4 vomiting episodes, number the of parturients requiring rescue antiemetics, and the total number of parturients with no vomiting and/or no antiemetic medication (P < 0.05 to P < 0.01 ), The differences between dexamethasone 10 mg and 5 mg were not significant. Dexamethasone 2.5 mg was partially effective.Conclusion: Dexamethasone, 5 mg iv, is suggested as the minimum effective dose in preventing nausea and vomiting associated with epidural morphine for post-Cesarean analgesia.

  DOI：

  10.1007/bf03019733

文献信息

• Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators
  申请人：——

  公开号：US20040259915A1

  公开（公告）日：2004-12-23

  The present invention is directed to novel heteroatom containing tetracyclic derivatives, pharmaceutical compositions containing them, their use in the treatment and/or prevention of disorders mediated by one or more estrogen receptors and processes for their preparation. The compounds of the invention are useful in the treatment and/or prevention of disorders associated with the depletion of estrogen such as hot flashes, vaginal dryness, osteopenia and osteoporosis; hormone sensitive cancers and hyperplasia of the breast, endometrium, cervix and prostate; endometriosis, uterine fibroids, osteoarthritis and as contraceptive agents, alone or in combination with a progestogen or progestogen antagonist.

  本发明涉及新颖的含杂原子四环衍生物、含有它们的药物组合物、它们在治疗和/或预防由一个或多个雌激素受体介导的疾病中的应用，以及它们的制备方法。本发明的化合物在治疗和/或预防与雌激素耗竭相关的疾病中具有用途，例如热潮红、阴道干燥、骨量减少和骨质疏松症；激素敏感性癌症以及乳腺、子宫内膜、宫颈和前列腺的增生；子宫内膜异位症、子宫肌瘤、骨关节炎，以及作为避孕剂，单独使用或与孕激素或孕激素拮抗剂联合使用。
• Inhibitors of c-Jun N-terminal kinases
  申请人：Liu Gang

  公开号：US20060173050A1

  公开（公告）日：2006-08-03

  The present invention relates to compounds that are inhibitors of c-jun N-terminal kinase 1, 2, or 3 (JNK1, JNK2, or JNK3), compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by the activation of JNK1, JNK2 and JNK3.

  本发明涉及作为c-jun N-末端激酶1、2或3（JNK1、JNK2或JNK3）抑制剂的化合物，包含这些化合物的组合物以及这些化合物在预防或治疗由JNK1、JNK2和JNK3激活调控的疾病中的用途。
• [EN] IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDO-THIAZOLE EN TANT QU'INHIBITEURS DE PROTÉINES KINASES
  申请人：ABBOTT LAB

  公开号：WO2009070516A1

  公开（公告）日：2009-06-04

  Compounds of formula I that inhibit protein kinases, compositions containing the compounds and methods of treating diseases using the compounds are disclosed. Formula I and therapeutically acceptable salts, prodrugs and salts of prodrugs thereof, wherein X is CH or N; A1 is R1, OR1. NHR1, N(R1)2, NHC(O)R1, NHC(O)NHR1, NHC(O)N(R1)2, NHC(O)OR1, C(O)NHR1, C(O)N(R1)2, C=NOR1, or C(NH2)NOC(O)R1;

  公开了抑制蛋白激酶的化合物I的公式，包含这些化合物的组合物以及使用这些化合物治疗疾病的方法。公式I及其治疗上可接受的盐，前药和前药的盐，其中X为CH或N；A1为R1，OR1，NHR1，N(R1)2，NHC(O)R1，NHC(O)NHR1，NHC(O)N(R1)2，NHC(O)OR1，C(O)NHR1，C(O)N(R1)2，C=NOR1或C(NH2)NOC(O)R1。
• [EN] 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS<br/>[FR] DERIVES DE 1-(2H-PYRAZOL-3-YL)-3-{4-`1-(BENZOYL)-PIPERIDIN-4-YLMETHYL!-PHENYL}-UREE ET COMPOSES ASSOCIES UTILISES COMME INHIBITEURS DE LA KINASE P38 ET/OU COMME INHIBITEURS DU FACTEUR DE NECROSE TUMORALE (TNF) DANS LE TRAITEMENT DES INFLAMMATIONS
  申请人：AVENTIS PHARMA INC

  公开号：WO2004100946A1

  公开（公告）日：2004-11-25

  The present invention provides compounds of Formula (I) Wherein ( ) is an optional ethylene bridge; R1 is alkyl, cycloalkyl, aryl or aryl substituted with one or more substituents selected from alkyl, alkoxy and amino, or R1 is pyridyl or pyridyl substituted with one or more substituents selected from alkyl, alkoxy and amino; R2 is optionally substituted alkyl, alkoxyalkyl, optionally substituted cycloalkylalkyl, arylalkyl, or R2 is arylalkyl substituted with one or more substituents selected from alkyl, alkoxy; X is -C(O)-, -C(O)-CH2-, -S(O)2-, or NH-C(O)- ; and A is optionally substituted alkyl or other substituents as defined in claim 1. Pharmaceutical compositions comprising such compounds, their preparation, and their pharmaceutical use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and/or tumor necrosis factor (TNF), such as asthma or joint inflammation.

  本发明提供了Formula (I)的化合物，其中( )是可选的乙烯桥；R1是烷基、环烷基、芳基或芳基，其上取代基可为烷基、烷氧基和氨基中的一种或多种，或者R1是吡啶基或吡啶基，其上取代基可为烷基、烷氧基和氨基中的一种或多种；R2是可选取代的烷基、烷氧基烷基、可选取代的环烷基烷基、芳基烷基，或者R2是芳基烷基，其上取代基可为烷基、烷氧基中的一种或多种；X是-C(O)-、-C(O)-CH2-、-S(O)2-或NH-C(O)-；A是可选取代的烷基或其他在权利要求1中定义的取代基。包括这些化合物的药物组合物、其制备以及在治疗能够通过抑制p38激酶和/或肿瘤坏死因子(TNF)调节的疾病状态中的药用，如哮喘或关节炎。
• Development of fluorescent probes specific for parallel-stranded G-quadruplexes by a library approach
  作者：Liyun Zhang、Jun Cheng Er、Xin Li、Jun Jie Heng、Animesh Samanta、Young-Tae Chang、Chi-Lik Ken Lee

  DOI：10.1039/c5cc01601k

  日期：——

  A novel fluorescent sensor with super selectivity to G-quadruplexes was discovered by the library approach.

  通过文库方法发现了一种对G-四链体具有超强选择性的新型荧光传感器。

表征谱图