2-甲基-4-硝基-1-乙烯基苯 | 91748-01-5

• 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-甲基-4-硝基-1-乙烯基苯
• 英文名称: 2-methyl-4-nitrostyrene
• 英文别名: 1-Ethenyl-2-methyl-4-nitrobenzene
• CAS: 91748-01-5
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: IQMPGUKEJYKIAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-甲基-4-硝基-1-乙烯基苯 在 臭氧 、 二甲基硫 作用下， 以 二氯甲烷 为溶剂， 以82%的产率得到2-甲基-4-硝基苯甲醛
  参考文献：
  名称：

  Inhibitors of inosine monophosphate dehydrogenase: SARs about the N-[3-Methoxy-4-(5-oxazolyl)phenyl moiety

  摘要：

  The first reported structure-activity relationships (SARs) about the N-[3-methoxy-4-(5-oxazolyi)phenyl moiety for a series of recently disclosed inosine monophosphate dehydrogenase (IMPDH) inhibitors are described. The syntheses and in vitro inhibitory values for IMPDH II, and T-cell proliferation (for select analogues) are given. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00258-0
• 作为产物：
  描述：

  2-溴-5-硝基甲苯 、 三丁基乙烯基锡 在 tris-(dibenzylideneacetone)dipalladium(0) 作用下， 以 甲苯 为溶剂， 生成 2-甲基-4-硝基-1-乙烯基苯
  参考文献：
  名称：

  Inhibitors of inosine monophosphate dehydrogenase: SARs about the N-[3-Methoxy-4-(5-oxazolyl)phenyl moiety

  摘要：

  The first reported structure-activity relationships (SARs) about the N-[3-methoxy-4-(5-oxazolyi)phenyl moiety for a series of recently disclosed inosine monophosphate dehydrogenase (IMPDH) inhibitors are described. The syntheses and in vitro inhibitory values for IMPDH II, and T-cell proliferation (for select analogues) are given. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00258-0

文献信息

• Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors
  申请人：Allergan Sales, Inc.

  公开号：US20020156076A1

  公开（公告）日：2002-10-24

  Compounds having adrenergic activity which are a selective agonists for one or both of the &agr; 2B and &agr; 2c adrenoceptor receptor subtypes in preference to the &agr; 2A adrenoceptor receptor subtype; the active compound being selected from the group consisting of compounds having the formula 1 wherein the dotted lines represent optional bonds provided that two double bonds may not share a common carbon atom; R is H or lower alkyl; X is S or C(H)R 1 , wherein R 1 is H or lower alkyl, but R 1 is absent when the bond between X and the ring represented by 2 is a double bond; Y is O, N, S, (CR 1 2 ) y , wherein y is an integer of from 1 to 3, —CH═CH— or —Y 1 CH 2 —, wherein Y 1 is O, N or S; x is an integer of 1 or 2, wherein x is 1 when R 2 , R 3 or R 4 is bound to an unsaturated carbon atom and x is 2 when R 2 , R 3 or R 4 is bonded to a saturated carbon atom; R 2 is H, lower alkyl, halogen, hydroxy, lower alkoxy, lower alkenyl, acyl or lower alkynyl, or, when attached to a saturated carbon atom, R 2 may be oxo; R 3 and R 4 are, each, H, lower alkyl, halogen, lower alkenyl, acyl, lower alkynyl, aryl, heteroaryl, or sub stituted aryl or heteroaryl, wherein said substituent is halogen, lower alkyl, lower alkoxy, lower alkenyl, acyl, lower alkynyl, nitro, cyano, trifluoromethyl, hydroxy, or phenyl or, together, are —(C(R 2 )x)z—; —Y 1 (C(R 2 )x)z′—; —Y 1 (C(R 2 )x)y Y 1 —; —(C(R 2 )x)—Y 1 —(C(R 2 )x)—; —(C(R 2 )x)—Y 1 —(C(R 2 )x)—(C(R 2 )x)— and —Y 1 —(C(R 2 )x)—Y 1 —(C(R 2 )x)— wherein z is an integer of from 3 to 5, z′ is an integer of from 2 to 4 and x and y are as defined above, and further either end of each of these divalent moieties may attach at either R3 or R4 to form a condensed ring structure and the rings formed may be totally unsaturated, partially unsaturated, or totally saturated; and being useful for treating muscle spasticity including hyperactive micturition, diarrhea, diuresis, withdrawal syndromes, pain including neuropathic pain, neurodegenerative diseases, memory and cognition deficits, psychoses including manic disorders and anxiety, hypertension, cardiac ischemia, congestive heart failure, and nasal congestion without sedating or cardiovascular side effects.

  具有肾上腺素活性的化合物，是选择性激动剂，优先作用于α2B和α2C肾上腺素受体亚型中的一个或两个，而不是α2A肾上腺素受体亚型；所述活性化合物从以下化合物组中选择，其具有下列式1的化合物，其中虚线代表可选键，但两个双键不能共用一个碳原子；R为H或较低的烷基；X为S或C(H)R1，其中R1为H或较低的烷基，但当X与由2表示的环之间的键为双键时，R1不存在；Y为O、N、S、(CR12)y，其中y为1至3的整数，—CH2CH—或—Y1CH2—，其中Y1为O、N或S；x为1或2的整数，当R2、R3或R4与不饱和碳原子结合时，x为1，当R2、R3或R4与饱和碳原子结合时，x为2；R2为H、较低的烷基、卤素、羟基、较低的烷氧基、较低的烯基、酰基或较低的炔基，或者当连接到饱和碳原子时，R2可能为酮基；R3和R4分别为H、较低的烷基、卤素、较低的烯基、酰基、较低的炔基、芳基、杂环芳基或取代的芳基或杂环芳基，其中所述取代基为卤素、较低的烷基、较低的烷氧基、较低的烯基、酰基、较低的炔基、硝基、氰基、三氟甲基、羟基或苯基，或者共同为—(C(R2)x)z—；—Y1(C(R2)x)z′—；—Y1(C(R2)x)y Y1—；—(C(R2)x)—Y1—(C(R2)x)—；—(C(R2)x)—Y1—(C(R2)x)—(C(R2)x)—和—Y1—(C(R2)x)—Y1—(C(R2)x)—其中z为3至5的整数，z′为2至4的整数，x和y如上所定义，而且这些二价基团的每一端都可以连接到R3或R4中的任一端，形成一个紧凑的环结构，所形成的环可以是完全不饱和的、部分不饱和的或完全饱和的；并且适用于治疗肌肉痉挛，包括过度活跃的小便、腹泻、利尿、戒断综合征、包括神经病理性疼痛、神经退行性疾病、记忆和认知缺陷、精神病，包括躁狂障碍和焦虑、高血压、心肌缺血、充血性心力衰竭和鼻塞，无镇静或心血管副作用。
• [EN] COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME<br/>[FR] COMPOSES DERIVES D'UN NOYAU AMINE INHIBITEURS DE L'ENZYME IMPDH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2000025780A1

  公开（公告）日：2000-05-11

  The present invention discloses the identification of the novel inhibitors of IMPDH (inosine-5'-monophosphate dehydrogenase). The compounds and pharmaceutical compositions disclosed herein are useful in treating or preventing IMPDH mediated diseases, such as transplant rejection and autoimmune diseases.

  本发明揭示了IMPDH（鸟苷-5'-单磷酸脱氢酶）的新型抑制剂的鉴定。本文所披露的化合物和药物组合物对于治疗或预防IMPDH介导的疾病，如移植排斥和自身免疫疾病，是有用的。
• Compounds derived from an amine nucleus that are inhibitors of IMPDH enzyme
  申请人：Bristol-Myers Squibb Co.

  公开号：US06399773B1

  公开（公告）日：2002-06-04

  The present invention discloses the identification of the novel inhibitors of IMPDH (inosine-5′-monophosphate dehydrogenase). The compounds and pharmaceutical compositions disclosed herein are useful in treating or preventing IMPDH mediated diseases, such as transplant rejection and autoimmune diseases.

  本发明揭示了IMPDH（次黄嘌呤-5'-单磷酸脱氢酶）的新型抑制剂的鉴定。本文所披露的化合物和制药组合物可用于治疗或预防IMPDH介导的疾病，例如移植排斥和自身免疫性疾病。
• EP1126843A4
  申请人：——

  公开号：EP1126843A4

  公开（公告）日：2005-06-15
• COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP1126843A1

  公开（公告）日：2001-08-29