4-(1-甲基乙基)-2-呋喃羧醛 | 16015-07-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(1-甲基乙基)-2-呋喃羧醛
• 英文名称: 4-Isopropyl-2-furaldehyde
• 英文别名: 4-isopropylfuran-2-carbaldehyde；4-isopropylfurfural；4-isopropyl-furan-2-carbaldehyde；4-Isopropyl-furan-2-carbaldehyd；4-Isopropylfuran-2-carbaldehyd；4-Isopropyl-furan-2-aldehyd；4-propan-2-ylfuran-2-carbaldehyde
• CAS: 16015-07-9
• 化学式: C₈H₁₀O₂
• mdl: MFCD18642863
• 分子量: 138.166
• InChiKey: RNFIHRJWAKWIEM-UHFFFAOYSA-N

物化性质

• 沸点：
  92-95 °C(Press: 13 Torr)
• 密度：
  1.031±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932190090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  4-(1-甲基乙基)-2-呋喃羧醛 在 sodium hydroxide 、 乙醇 、 硫酸 、 silver(l) oxide 作用下， 生成 4-Isopropyl-furan-2-carbonsaeure-methylester
  参考文献：
  名称：

  Elming, Acta Chemica Scandinavica (1947), 1952, vol. 6, p. 605

  摘要：

  DOI：
• 作为产物：
  描述：

  4-Isopropyl-furan-2-carbonsaeure-methylester 在 lithium aluminium tetrahydride 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 4-(1-甲基乙基)-2-呋喃羧醛
  参考文献：
  名称：

  C(4)-alkyl substituted furanyl cyclobutenediones as potent, orally bioavailable CXCR2 and CXCR1 receptor antagonists

  摘要：

  A novel series of cyclobutenedione centered C(4)-alkyl substituted furanyl analogs was developed as potent CXCR2 and CXCR1 antagonists. Compound 16 exhibits potent inhibitory activities against IL-8 binding to the receptors (CXCR2 Ki = 1 nM, IC50 = 1.3 nM; CXCRI Ki = 3 nM, IC50= 7.3 nM), and demonstrates potent inhibition against both Gro-alpha and IL-8 induced hPMN migration (chemotaxis: CXCR2 IC50=0.5nM,CXCRI IC50= 37 nN1). In addition, 16 has shown good oral pharmacokinetic profiles in rat, mouse, monkey, and dog. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.016

文献信息

• 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands
  申请人：Schering Corporation

  公开号：US20040106794A1

  公开（公告）日：2004-06-03

  There are disclosed compounds of the formula 1 or a pharmaceutically acceptable salt or solvate thereof which are useful for the treatment of chemokine-mediated diseases such as acute and chronic inflammatory disorders and cancer.

  这里公开了用于治疗诸如急性和慢性炎症性疾病以及癌症的趋化因子介导疾病的公式1化合物或其药用可接受的盐或溶剂。
• [EN] THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS<br/>[FR] THIADIAZOLEDIOXYDES ET THIADIAZOLEOXIDES CONVENANT COMME LIGANDS DES RECEPTEURS DES CXC- ET CC-CHIMIOKINES
  申请人：PHARMACOPEIA INC

  公开号：WO2004033440A1

  公开（公告）日：2004-04-22

  Disclosed are novel compounds of the formula (IA) and the pharmaceutically acceptable salts and solvates thereof. Examples of groups comprising Substituent A include heteroaryl, aryl, heterocycloalkyl, cycloalkyl, aryl, alkynyl, alkenyl, aminoalkyl, alkyl or amino. Examples of groups comprising Substituent B include aryl and heteroaryl. Also disclosed is a method of treating a chemokine mediated diseases, such as, cancer, angiogenisis, angiogenic ocular diseases, pulmonary diseases, multiple sclerosis, rheumatoid arthritis, osteoarthritis, stroke and cardiac reperfusion injury, acute pain, acute and chronic inflammatory pain, and neuropathic pain using a compound of formula (IA).

  披露了公式（IA）的新颖化合物以及其中医药可接受的盐和溶剂化物。包含取代基A的基团示例包括杂芳基、芳基、杂环烷基、环烷基、芳基、炔基、烯基、氨基烷基、烷基或氨基。包含取代基B的基团示例包括芳基和杂芳基。还披露了一种治疗趋化因子介导的疾病的方法，例如，癌症、血管生成、血管生成性眼病、肺病、多发性硬化症、类风湿性关节炎、骨关节炎、中风和心脏再灌注损伤、急性疼痛、急性和慢性炎症性疼痛，以及使用公式（IA）的化合物的神经性疼痛。
• [EN] ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS<br/>[FR] DIOXYDES D'ISOTHIAZOLE EN TANT QUE LIGANDS DU RECEPTEUR DE LA CHIMIOKINE CXC ET CC
  申请人：SCHERING CORP

  公开号：WO2005068460A1

  公开（公告）日：2005-07-28

  Disclosed are novel compounds of the formula (IA): and the pharmaceutically acceptable salts and solvates thereof. D and E are different groups wherein one is N and the other is CR50. Examples of groups comprising Substituent A include heteroaryl, aryl, heterocycloalkyl, cycloalkyl, aryl, alkynyl, alkenyl, aminoalkyl, alkyl or amino. Examples of groups comprising Substituent B include aryl and heteroaryl. Also disclosed is a method of treating a chemokine mediated diseases, such as, cancer, angiogenisis, angiogenic ocular diseases, pulmonary diseases, multiple sclerosis, rheumatoid arthritis, osteoarthritis, stroke and cardiac reperfusion injury, pain (e.g., acute pain, acute and chronic inflammatory pain, and neuropathic pain) using a compound of formula IA.

  公开了公式(IA)的新化合物：以及它们的药物可接受的盐和溶剂化物。D和E是不同的基团，其中一个是N，另一个是CR50。包含取代基A的基团示例包括杂芳基、芳基、杂环烷基、环烷基、芳基、炔基、烯基、氨基烷基、烷基或氨基。包含取代基B的基团示例包括芳基和杂芳基。还公开了一种治疗趋化因子介导的疾病的方法，例如，癌症、血管生成、血管生成性眼病、肺病、多发性硬化症、类风湿性关节炎、骨关节炎、中风和心肌再灌注损伤，疼痛(例如，急性疼痛、急性和慢性炎症性疼痛、神经性疼痛)使用公式IA的化合物。
• Dioxo-tetrahydroquinoline derivatives
  申请人：Merck Sharp & Dohme, Limited

  公开号：US05268378A1

  公开（公告）日：1993-12-07

  A class of 2,4-dioxo-1,2,3,4-tetrahydroquinoline derivatives, substituted at the 3-position by a range of carbonyl-containing substituents or by a five- or six-membered heteroaromatic moiety, are selective non-competitive antagonists of NMDA receptors and/or are antagonists of AMPA receptors, and are therefore of utility in the treatment of conditions, such as neurodegenerative disorders, convulsions or schizophrenia, which require the administration of an NMDA and/or AMPA antagonist.

  一类2,4-二氧代-1,2,3,4-四氢喹啉衍生物，其在3位被一系列含羰基取代基团或五元或六元杂芳基取代，是NMDA受体的选择性非竞争性拮抗剂和/或是AMPA受体的拮抗剂，因此在治疗神经退行性疾病、癫痫或精神分裂症等需要给予NMDA和/或AMPA拮抗剂的情况下具有实用价值。
• FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE
  申请人：Heffernan L. R. Michele

  公开号：US20080004327A1

  公开（公告）日：2008-01-03

  This invention provides novel inhibitors of the enzyme D-amino acid oxidase as well as pharmaceutical compositions including the compounds of the invention. The invention also provides methods for the treatment and prevention of neurological disorders, such as neuropsychiatric and neurodegenerative diseases, as well as pain, ataxia and convulsion. The compounds of the invention have the general structure: wherein A is NH or S. Q is a member selected from CR 1 and N. X and Y are members independently selected from O, S, CR 2 , N and NH. R 1 , R 2 and R 4 are members independently selected from H and F, provided that at least one member selected from R 1 , R 2 and R 4 is F. R 6 is a member selected from O − X + and OH, wherein X + is a positive ion, which is a member selected from inorganic positive ions and organic positive ions.

  这项发明提供了D-氨基酸氧化酶的新型抑制剂，以及包括该发明中化合物的药物组合物。该发明还提供了用于治疗和预防神经系统疾病，如神经精神病和神经退行性疾病，以及疼痛、共济失调和抽搐的方法。该发明中的化合物具有一般结构：其中A为NH或S。Q是从CR1和N中选择的成员。X和Y分别是从O、S、CR2、N和NH中独立选择的成员。R1、R2和R4是从H和F中独立选择的成员，前提是至少选择R1、R2和R4中的一个成员为F。R6是从O−X+和OH中选择的成员，其中X+是正离子，从无机正离子和有机正离子中选择的成员。