2-甲氧基-5-甲基苯基硫脲 | 88686-29-7

• 物质功能分类: 化学试剂 - 有机试剂 - 硫脲
• 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-甲氧基-5-甲基苯基硫脲
• 中文别名: N-(2-甲氧基-5-甲基苯基)硫脲
• 英文名称: 1-(2-methoxy-5-methylphenyl)thiourea
• 英文别名: 2-Methoxy-5-methylphenylthiourea；(2-methoxy-5-methylphenyl)thiourea
• CAS: 88686-29-7
• 化学式: C₉H₁₂N₂OS
• mdl: MFCD00041174
• 分子量: 196.273
• InChiKey: IPKUQBKZOAIUOC-UHFFFAOYSA-N

物化性质

• 熔点：
  127-130°C
• 沸点：
  320.8±52.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  按规定使用和贮存的物质不会分解，并应避开氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  79.4
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  6.1
• 安全说明：
  S22,S26,S36/37,S36/37/39
• 危险类别码：
  R22
• 危险品运输编号：
  UN 2811
• 海关编码：
  2930909090
• 包装等级：
  II
• 危险类别：
  6.1

反应信息

• 作为反应物：
  描述：

  2-甲氧基-5-甲基苯基硫脲 在 溴 作用下， 以 氯仿 为溶剂， 以72%的产率得到2-amino-4-methoxy-7-methylbenzothiazole hydrobromide
  参考文献：
  名称：

  Synthesis and evaluation of non-catechol D-1 and D-2 dopamine receptor agonists: benzimidazol-2-one, benzoxazol-2-one, and the highly potent: benzothiazol-2-one 7-ethylamines

  摘要：

  Our interest in identifying D-1 and D-2 dopamine receptor agonists that are not catechols led us to extend previous studies with oxindoles by investigating analogues of dopamine, N,N-dipropyldopamine, m-tyramine, N,N-dipropyl-m-tyramine, and epinine in which the m-hydroxyl is replaced by the NH portion of a thiazol-2-one, oxazol-2-one, or imidazol-2-one group fused to the 2,3-position. These compounds were evaluated for their affinity and agonist activity at D-1 and D-2 receptors by using in vitro assays. Replacement of the m-hydroxy in N,N-dipropyldopamine with the thiazol-2-one group resulted in a dramatic increase in D-2 receptor affinity and activity compared to that of N,N-dipropyldopamine itself or that of the corresponding oxindole, 1. The resulting compound, 7-hydroxy-4-[2-(di-n-propylamino)ethyl]benzothiazol-2(3H)-one (4), is the most potent D-2 receptor agonist reported to date in the field-stimulated rabbit ear artery (ED50 = 0.028 nM). The benzoxazol-2-one (6), benzimidazol-2-one (5), and isatin (51) analogues showed D-2 receptor agonist potency similar to that of 1. The des-7-hydroxyl analogue of 4 (21) also has enhanced D-2 receptor activity compared to that of the corresponding oxindole, 8. 7-Hydroxy-4-(2-aminoethyl)benzothiazol-2(3H)-one, 27, a non-catechol, has enhanced D-1 and D-2 receptor activity in vitro compared to that of the corresponding oxindole, 7. In vivo, 27 increased renal blood flow and decreased blood pressure in the dog. However, these effects were mediated primarily by D-2 receptor agonist activity. This may be a result of the D-1 partial agonist activity of 27 coupled with its potent D-2 receptor activity.

  DOI：

  10.1021/jm00390a009
• 作为产物：
  描述：

  N-(2-methoxy-5-methylphenylcarbamothioyl)benzamide 在 甲醇 、 sodium methylate 作用下， 反应 2.0h， 以76%的产率得到2-甲氧基-5-甲基苯基硫脲
  参考文献：
  名称：

  [EN] COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS
  [FR] DÉRIVÉS DE COUMARINE ET LEURS MÉTHODES D'UTILISATION DANS LE TRAITEMENT DE LA FIBROSE KYSTIQUE, DE LA BRONCHOPNEUMOPATHIE CHRONIQUE OBSTRUCTIVE ET DES TROUBLES LIÉS À DES PROTÉINES MAL REPLIÉES

  摘要：

  公开号：

  WO2014152213A3

文献信息

• BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION
  申请人：JACKSON Paul Francis

  公开号：US20120129842A1

  公开（公告）日：2012-05-24

  This invention relates to bisthiazole I and its therapeutic and prophylactic uses, wherein the variables A, R 5 , R 6 , and R 7 are defined in the specification. Disorders treated and/or prevented include rheumatoid arthritis.

  本发明涉及双噻唑I及其治疗和预防用途，其中变量A，R 5 ，R 6 ，和R 7 在说明书中定义。治疗的和/或预防的疾病包括类风湿性关节炎。
• Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity
  申请人：Mammen Mathai

  公开号：US20050113417A1

  公开（公告）日：2005-05-26

  The invention is directed to compounds of formula I: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7a , R 7b , W, G 1 , G 2 , a, b, c, d and m are as defined in the specification, or a pharmaceutically acceptable salt or solvate or stereoisomer thereof. The invention is also directed to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

  这项发明涉及到以下式I的化合物：其中R1、R2、R3、R4、R5、R6、R7a、R7b、W、G1、G2、a、b、c、d和m如规范中所定义，或其药学上可接受的盐、溶剂或立体异构体。该发明还涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的过程和中间体。
• Chelate Stabilities of Certain Oxine-type Compounds. II. 4-Hydroxybenzothiazoles¹
  作者：T. J. Lane、C. S. C. Lane、A. Sam

  DOI：10.1021/ja01471a002

  日期：1961.5

  The acid dissociation constants of 4-hydroxybenzothiazole, 2- amino-4- hydroxybenzothiazole, 2-methylamino-4hydroxybenzothiazole, and 2-amino-4-hydroxy- 7-methylbenzothiazole were determined in 50% v/v p-dioxane at 25 and the chelate stability constants of the ligands with Cu(II), Pb(II), Ni(H), Co(II), Zn(II), and Cd(II) were obtained by Calvin-Bjerrum potentiometric titration technique. The results

  4-羟基苯并噻唑、2-氨基-4-羟基苯并噻唑、2-甲氨基-4-羟基苯并噻唑和 2-氨基-4-羟基-7-甲基苯并噻唑的酸解离常数在 50% v/v 对二恶烷中于 25 和通过 Calvin-Bjerrum 电位滴定技术获得配体与 Cu(II)、Pb(II)、Ni(H)、Co(II)、Zn(II) 和 Cd(II) 的螯合稳定性常数。将结果与先前报道的 8-羟基喹啉、4-羟基苯并咪唑和 4-羟基苯并恶唑的结果进行比较。4-羟基苯并噻唑螯合物的稳定性常数低于相应的8-羟基喹啉的稳定性常数。这是由较大的氮氧距离和供体氮原子上不利的电子取向来解释的。稳定性值高于 4-羟基苯并咪唑和 4-羟基苯并恶唑，这归因于 1-位较大硫原子的影响。（授权）
• Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof
  申请人：Sekiguchi Yoshinori

  公开号：US20050197350A1

  公开（公告）日：2005-09-08

  The present invention relates to novel compounds of the Formula (I): which act as MCH receptor antagonists. These compositions are useful in pharmaceutical compositions whose use includes prophylaxis or treatment of improving memory function, sleeping and arousal, anxiety, depression, mood disorders, seizure, obesity, diabetes, appetite and eating disorders, cardiovascular disease, hypertension, dyslipidemia, myocardial infarction, binge eating disorders including bulimia, anorexia, mental disorders including manic depression, schizophrenia, delirium, dementia, stress, cognitive disorders, attention deficit disorder, substance abuse disorders and dyskinesias including Parkinson's disease, epilepsy, and addiction.

  本发明涉及一种新的化合物，其化学式为(I)，该化合物作为MCH受体拮抗剂。这些组合物在制药组合物中的应用包括预防或治疗改善记忆功能、睡眠和觉醒、焦虑、抑郁、情绪障碍、癫痫、肥胖症、糖尿病、食欲和进食障碍、心血管疾病、高血压、血脂异常、心肌梗死、暴食症包括贪食症、厌食症、精神障碍包括躁郁症、精神分裂症、谵妄、痴呆、压力、认知障碍、注意力缺陷障碍、物质滥用障碍和运动障碍包括帕金森病、癫痫和成瘾等。
• Novel quinazoline derivatives and methods of treatment related to the use thereof
  申请人：Sekiguchi Yoshinori

  公开号：US20070010671A1

  公开（公告）日：2007-01-11

  The present invention relates to novel compounds of Formula (1): which act as MCH receptor antagonists. These compositions are useful in pharmaceutical compositions whose use includes prophylaxis or treatment of improving memory function, sleeping and arousal, anxiety, depression, mood disorders, seizure, obesity, diabetes, appetite and eating disorders, cardiovascular disease, hypertension, dyslipidemia, myocardial infarction, binge eating disorders including bulimia, anorexia, mental disorders including manic depression, schizophrenia, delirium, dementia, stress, cognitive disorders, attention deficit disorder, substance abuse disorders and dyskinesias including Parkinson's disease, epilepsy, and addiction.

  本发明涉及一种新的化合物，其化学式为(1)，并作为MCH受体拮抗剂。这些化合物在制药组合物中的使用包括预防或治疗改善记忆功能、睡眠和觉醒、焦虑、抑郁、情绪障碍、癫痫、肥胖症、糖尿病、食欲和进食障碍、心血管疾病、高血压、血脂异常、心肌梗塞、暴食障碍（包括贪食症、厌食症）、精神障碍（包括躁郁症、精神分裂症、谵妄、痴呆）、压力、认知障碍、注意力缺陷障碍、物质滥用障碍和运动障碍（包括帕金森病、癫痫和成瘾）。