2,3-二甲基-4-羟基苯甲醛 | 58380-40-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,3-二甲基-4-羟基苯甲醛
• 英文名称: 4-hydroxy-2,3-dimethylbenzaldehyde
• CAS: 58380-40-8
• 化学式: C₉H₁₀O₂
• 分子量: 150.177
• InChiKey: GEVILTWPAPSGDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2,3-二甲基-4-羟基苯甲醛 在 吡啶 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 19.0h， 生成 4-(2-methoxyphenylthio)-2,3-dimethylbenzaldehyde
  参考文献：
  名称：

  Discovery of Novel p-Arylthio Cinnamides as Antagonists of Leukocyte Function-Associated Antigen-1/Intercellular Adhesion Molecule-1 Interaction. 4. Structure−Activity Relationship of Substituents on the Benzene Ring of the Cinnamide

  摘要：

  We have shown that p-arylthio cinnamides can inhibit the interaction of LFA-1 and ICAM-1, which is involved in cell adhesion and the inflammatory process. We now show that 2,3-disubstitution on the aryl portion of the cinnamide results in enhanced activity over mono substitution on the ring. The best 2,3-substituents were chlorine and trifluoromethyl groups. Compounds 39 and 40 which contain two CF3 groups have IC50 values of 0.5 and 0.1 nM, respectively, in inhibiting JY8 cells expressing LFA-1 on their surface, from adhering to ICAM-1. The structure-activity relationship (SAR) was examined using an NMR based model of the LFA-1 I domain/compound 31 complex. One of our compounds (38) was able to reduce cell migration in two different in vivo experiments.

  DOI：

  10.1021/jm0103108
• 作为产物：
  描述：

  2,3,4-三甲基苯酚 在 盐酸 、 三氯化铝 、 氢氰酸 作用下， 生成 2,3-二甲基-4-羟基苯甲醛
  参考文献：
  名称：

  v. Auwers; Mauss, Chemische Berichte, 1928, vol. 61, p. 1502

  摘要：

  DOI：

文献信息

• Aminoalcohol derivatives
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：US20040006143A1

  公开（公告）日：2004-01-08

  The present invention relates to a compound formula [I]: 1 wherein 2 Y is bond, —O—(CH 2 ) n — (in which n is 1, 2, 3 or 4), etc., Z is cyano, tetrazolyl, etc., R 1 is hydrogen, lower alkyl, etc., R 2 is hydrogen or an amino protective group, R 3 is hydrogen or lower alkyl, R 4 is hydrogen or lower alkyl, R 5 and R 8 are each independently hydrogen, halogen, hydroxy, lower alkyl, etc., R 6 is hydrogen, lower alkyl, etc., R 9 is hydrogen or lower alkyl, and i is 1 or 2, or a salt thereof. The compound [I] of the present invention and pharmaceutically acceptable salts thereof are useful for the prophylactic and/or the therapeutic treatment of pollakiurea or urinary incontinence.

  本发明涉及一种化合物公式[I]: 1 其中 2 Y是键，—O—(CH 2 ) n — (其中n是1、2、3或4)，等等， Z是氰基，四唑基，等等， R 1 是氢，低级烷基，等等， R 2 是氢或氨基保护基团， R 3 是氢或低级烷基， R 4 是氢或低级烷基， R 5 和R 8 各自独立是氢，卤素，羟基，低级烷基，等等， R 6 是氢，低级烷基，等等， R 9 是氢或低级烷基，以及 i是1或2， 或其盐。本发明的化合物[I]及其药用可接受的盐对于预防性和/或治疗性治疗尿频或尿失禁是有用的。
• [EN] TRICYCLIC PIPERIDINE COMPOUNDS<br/>[FR] COMPOSÉS PIPÉRIDINIQUES TRICYCLIQUES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2016177690A1

  公开（公告）日：2016-11-10

  The present invention relates to compounds of the formula (I) wherein R1a, R1b, R2, R3, (R4)n and ring (A) are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), to methods for the preparation of such compounds of formula (I), and especially to their use as TPH modulators.

  本发明涉及式(I)的化合物，其中R1a、R1b、R2、R3、(R4)n和环(A)如描述中所述，其制备方法，其药学上可接受的盐，以及作为药物的用途，含有一个或多个式(I)化合物的药物组合物，制备这种式(I)化合物的方法，特别是作为TPH调节剂的用途。
• Exploration of phenylpropanoic acids as agonists of the free fatty acid receptor 4 (FFA4): Identification of an orally efficacious FFA4 agonist
  作者：Steven M. Sparks、Christopher Aquino、Pierette Banker、Jon L. Collins、David Cowan、Caroline Diaz、Steven T. Dock、Donald L. Hertzog、Xi Liang、Erin D. Swiger、Josephine Yuen、Grace Chen、Channa Jayawickreme、David Moncol、Christopher Nystrom、Vincent Rash、Thomas Rimele、Shane Roller、Sean Ross

  DOI：10.1016/j.bmcl.2017.01.034

  日期：2017.3

  The long chain free fatty acid receptor 4 (FFA4/GPR120) has recently been recognized as lipid sensor playing important roles in nutrient sensing and inflammation and thus holds potential as a therapeutic target for type 2 diabetes and metabolic syndrome. To explore the effects of stimulating this receptor in animal models of metabolic disease, we initiated work to identify agonists with appropriate

  长链游离脂肪酸受体4（FFA4 / GPR120）最近被认为是脂质传感器，在营养物传感和炎症中起着重要作用，因此具有作为2型糖尿病和代谢综合征的治疗靶标的潜力。为了探索在代谢性疾病动物模型中刺激该受体的作用，我们启动了鉴定具有适当药代动力学特性的激动剂的工作，以支持进入体内研究的进程。对一系列苯丙酸的广泛SAR研究导致鉴定出化合物29，一种在两种2型糖尿病临床前模型中降低血浆葡萄糖的FFA4激动剂。
• [EN] PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS<br/>[FR] DERIVES DE PYRAZOLIDINEDIONE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE L'AGREGATION DES PLAQUETTES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2005002574A1

  公开（公告）日：2005-01-13

  Pyrazolidinedione derivatives of the general formula (I), wherein R1 is hydrogen, optionally substituted alkyl, cycloalkyl, aryl, arylalkyl, heteroaryl or heteroarylalkyl; and R2 is aryl or heteroaryl; tautomers thereof; geometric isomers thereof and tautomers of these geometric isomers, including mixtures of individual compounds of formula (I), or tautomers thereof, and their geometric isomers, or tautomers thereof; pharmaceutically acceptable acid addition salts of compounds which are basic; pharmaceutically acceptable salts of compounds containing acidic groups with bases; pharmaceutically acceptable esters of compounds containing hydroxy or carboxy groups; prodrugs of compounds in which a prodrug forming group is present; as well as hydrates or solvates thereof; are active as platelet adenosine diphosphate receptor antagonists and can be used for the prevention and/or treatment of peripheral vascular, of visceral-, hepaticand renal-vascular, of cardiovascular and of cerebrovascular diseases or conditions associated with platelet aggregation, particularly thrombosis, and, respectively, for the manufacture of corresponding medicaments. Some, albeit not all, of the compounds of the above formula (I) are novel.

  一般公式（I）的吡唑烷二酮衍生物，其中R1是氢，可选地取代烷基，环烷基，芳基，芳烷基，杂芳基或杂芳烷基；R2是芳基或杂芳基；其互变异构体；其几何异构体及这些几何异构体的互变异构体，包括公式（I）的单个化合物的混合物，或其互变异构体，及其几何异构体，或其互变异构体；药物可接受的酸加成盐基本化合物；含有酸性基团的化合物与碱的药物可接受盐；含有羟基或羧基的化合物的药物可接受酯；以及存在前药形成基团的化合物的前药；以及它们的 hydrates 或 solvates；作为血小板二磷酸腺苷受体拮抗剂活性，可用于预防或治疗外周血管疾病，内脏、肝脏和肾脏血管疾病，心血管疾病和脑血管疾病或与血小板聚集相关的病症，尤其是血栓症，并且分别用于制造相应的药物。上述公式（I）中的一些化合物是新颖的，但并非全部。
• [EN] BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME<br/>[FR] COMPOSÉS ÉMISSIFS CYCLIQUES CONTENANT DU BORE ET FILM DE COLORISATION CONTENANT CEUX-CI
  申请人：NITTO DENKO CORP

  公开号：WO2020210761A1

  公开（公告）日：2020-10-15

  The present disclosure relates to novel photoluminescent complexes comprising a BODIPY moiety covalently bonded to a blue light absorbing moiety, a color conversion film comprising the photoluminescent complex, and a back-light unit using the same.

  本公开涉及新型的光致发光配合物，该配合物包括与蓝色光吸收基团共价键结合的BODIPY部分，包含该光致发光配合物的色转换膜，以及使用该配合物的背光单元。