4-苯甲酰基-3H-苯并[f]喹啉-3-腈 | 26455-95-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 4-苯甲酰基-3H-苯并[f]喹啉-3-腈
• 英文名称: 4-benzoyl-3,4-dihydrobenzo[f]quinoline-3-carbonitrile
• 英文别名: 1-Benzoyl-5,6-benzo-1,2-dihydrochinaldonitril；1-Benzoyl-5,6-benzo-1,2-dihydro-chinolin-carbonsaeure-(2)-nitril；3-cyano-4-benzoyl-3,4-dihydrobenzo(f)chinoline；4-benzoyl-3H-benzo[f]quinoline-3-carbonitrile
• CAS: 26455-95-8
• 化学式: C₂₁H₁₄N₂O
• 分子量: 310.355
• InChiKey: YLUZVASKHQAJAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-苯甲酰基-3H-苯并[f]喹啉-3-腈 在 sodium hydroxide 、 溴 、 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 9.0h， 生成 1,4-dihydro-4-methylbenzoquinolin-1-one
  参考文献：
  名称：

  Synthesis of 4-Alkoxyquinolines from Quinoline Reissert Compounds

  摘要：

  The quinoline Reissert compound (5a) was converted to 1-benzoyl-3-bromo-2-cyano-1, 2, 3, 4-tetrahydro-4-methoxyquinoline (6a) by successive treatment in methanol with bromine and aq. sodium carbonate. Hydrolysis of 6a with hydrochrolic acid gave 3-bromoquinoline (4; R = H), but that with aq. sodium hydroxide afforded 4-methoxyquinoline (7a). Reissert compounds derived from some quinoline derivatives (5) gave the corresponding 4-methoxyquinolines (7) through tetrahydroquinolines (6) in a similar way.

  DOI：

  10.3987/com-91-5945
• 作为产物：
  描述：

  苯甲酰氯 、 dichloromethane hydrate 、 5.6-苯并喹啉 、 potassium cyanide 在 水 、 盐酸 、 sodium hydroxide 、 magnesium sulfate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 8.0h， 生成 4-苯甲酰基-3H-苯并[f]喹啉-3-腈
  参考文献：
  名称：

  Combination of intercalating organometallic complexes and tumor seeking biomolecules for DNA cleavage and radiotherapy

  摘要：

  本发明涉及用于肿瘤和恶性肿瘤的治疗和诊断的分子，包括与插入分子偶联的肿瘤寻找生物分子，该插入分子能够形成与金属的络合物，所述金属优选为放射性金属，以及使用这些分子的治疗和诊断组合物。

  公开号：

  US08753641B2

文献信息

• Combination of Intercalating Organometallic Complexes and Tumor Seeking Biomolecules for DNA Cleavage and Radiotherapy
  申请人：Alberto Roger Ariel

  公开号：US20090280057A1

  公开（公告）日：2009-11-12

  The invention relates to molecules for treatment and diagnosis of tumors and malignancies, comprising a tumor seeking biomolecule, which is coupled to an intercalating moiety, which is capable of complexing a metal, which metal is preferably a radioactive metal, to the use of these molecules and to therapeutic and diagnostic compositions containing them.

  本发明涉及用于肿瘤和恶性肿瘤的治疗和诊断的分子，包括与插入基团偶联的肿瘤寻找生物分子，该插入基团能够与金属形成配合物，所述金属优选为放射性金属，以及使用这些分子和含有它们的治疗和诊断组合物。
• Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto
  申请人：EMORY UNIVERSITY

  公开号：US10434220B2

  公开（公告）日：2019-10-08

  The disclosure relates to compounds and compositions for bone formation, fracture treatment, bone grafting, bone fusion, cartilage maintenance and repair, and methods related thereto. In certain embodiments, the disclosure relates to compositions comprising one or more compound(s) disclosed herein derivatives, or salt thereof, for use in bone growth processes. In a typical embodiment, a bone graft composition is implanted in a subject at a site of desired bone growth or enhancement. In certain embodiments, compounds disclosed herein are useful for managing obesity and diabetes or other metabolic syndromes by modulation of brown fat.

  本公开涉及用于骨形成、骨折治疗、骨移植、骨融合、软骨维护和修复的化合物和组合物，以及与之相关的方法。在某些实施方案中，本公开涉及包含一种或多种本文公开的化合物衍生物或其盐的组合物，用于骨生长过程。在一个典型的实施方案中，骨移植组合物被植入受试者所需骨生长或增强的部位。在某些实施方案中，本文公开的化合物可通过调节棕色脂肪来控制肥胖和糖尿病或其他代谢综合征。
• ROZWADOWSKA M. D., ROCZ. CHEM. <ROCH-AC>, 1977, 51, NO 12, 2321-2329
  作者：ROZWADOWSKA M. D.

  DOI：——

  日期：——
• MOLECULES FOR THE TREATMENT AND DIAGNOSIS OF TUMORS
  申请人：Mallinckrodt Inc.

  公开号：EP1154798A1

  公开（公告）日：2001-11-21
• BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO
  申请人：EMORY UNIVERSITY

  公开号：US20150148292A1

  公开（公告）日：2015-05-28

  The disclosure relates to compounds and compositions for bone formation, fracture treatment, bone grafting, bone fusion, cartilage maintenance and repair, and methods related thereto. In certain embodiments, the disclosure relates to compositions comprising one or more compound(s) disclosed herein, such as 2-(2-Methoxybenzylidene)-1-indan-one; N-(4-arsonophenyl)glycine; 1,2-Benzenedicarboxylic acid, 1-(1-methylheptyl)ester; (4′-hydroxybiphenyl-4-yl) (phenyl)methanone; 2,2-dimethylchroman-6-carboxylic acid, (4,7-dihydroxy-8-methyl-2-oxo-2H-chromen-3-yl)amide; Ethyl 2-((4-chlorophenyl)thio)-1,3-benzothiazol-6-yl carbamate; Ethyl (2-(azepan-1-yl)benzo[d]thiazol-6-yl) carbamate; Porfiromycin; 1,3-benzodioxol-5-yl-[4-(3,4,5-trimethoxybenzoyl)-3-furyl]methanone; Tricinolone acetophenonide; 2,4-bis(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one; Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidine carboxylate; 5-(naphthalen-1-yl)-1-phenyl-1h-tetrazole; 5-(2-phenylquinolin-4-yl)-1,3,4-oxadiazol-2-ol; N-[2,4,5-trimethyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ylidene]hydroxylamine; 4-benzoyl-3,4-dihydro-Benzo[f]quinoline-3-carbonitrile; 2-nitro-3-phenylspiro[cyclopropane-1,9′-fluorene]; 3-[4-(furan-2-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethyl-thiourea; (6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl)2-methoxyacetate; 5-Iodo-1H-indole-2,3-dione; 4,5-dihydro-1,2,9,10-tetramethoxy dibenzo[de,g]quinoline-6-carboxylic acid, ethyl ester; [2,6-bis(2,4-dimethylphenyl)-4-(2-methoxyacetyl)oxy-phenyl]2-methoxyacetate; 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol; 2-[3-[[4-[(3-nitroacridin-9-yl)amino]phenyl]sulfamoyl]propyl]guanidine; 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-methyl-9H-thioxanthen-9-one; 5-amino-1H-1,2,4-triazole-3-carboxylic acid, methyl ester; methyl N-cyano-N′-prop-2-en-1-ylcarbamimidothioate; 5,7-dinitro-8-quinolinol; 5-nitrosoquinolin-8-ol; Cantharidin; 1,7-Diaminoacridine; 3-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one; Dichlorolapachol; Lycobetaine; 6-(1-aziridinyl)-2,3-dihydro-3-(propionyl)-7-methyl-1H-Pyrrolo[1,8]-dione; 4-Nitroestrone 3-methyl ether; 5,11-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxamide hydrochloride; 5-Methoxysterigmatocysin; (6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl)2-methoxyacetate; Horminon; 7′,8′-dimethyl-2′-oxo-4′,4a′,6a′,7′-tetrahydro-2′H-spiro[oxirane-2,1′-pentaleno[1,6a-c]pyran]-5′-carboxylate; Nybomycin acetate; 5H-[1,6]indeno[1,2-c]isoquinoline-5,12-dione; 2,3-dimethoxy-6-methyl-Nitidine; Iproplatin; 3-[(deoxyhexosyl)oxy]-2-(3,4-di-hydroxyphenyl)-6,8-dihdroxy-4H-1-Benzopyran-4-one; 2-O-benzyl 8-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate; 6-bromo-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione; 5-methylbenzo[c]phenanthridin-5-ium-2,3,8,9-tetrol; (6-acetyl-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidin-5-yl)-2,4-dichlorobenzoate; N—[C-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-N-(4-methylanilino)carbonimidoyl]imino-4-methylbenzamide; Gelcohol; Curcumin; Tirandamycin; Noscapine; Aristolochic acid; Himbacine; Fumagillin; Fumitremorgin C; Physalin B; derivatives, or salt thereof, for use in bone growth processes. In a typical embodiment, a bone graft composition is implanted in a subject at a site of desired bone growth or enhancement. In certain embodiments, compounds disclosed herein are useful for managing obesity and diabetes or other metabolic syndromes by modulation of brown fat.