N-[C-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-N-(4-methylanilino)carbonimidoyl]imino-4-methylbenzamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[C-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-N-(4-methylanilino)carbonimidoyl]imino-4-methylbenzamide
• 化学式: C₂₉H₂₉N₇O
• 分子量: 491.6
• InChiKey: BHUSAJPLLXLPIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• 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。
• 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.
• [EN] BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO<br/>[FR] ACTIVATION DE LA VOIE DES PROTÉINES MORPHOGÉNÉTIQUES OSSEUSES, COMPOSITIONS POUR UNE OSSIFICATION ET PROCÉDÉS ASSOCIÉS
  申请人：UNIV EMORY

  公开号：WO2014011540A1

  公开（公告）日：2014-01-16

  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-indanone; 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-dimethylthiourea; (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-dihydroxyphenyl)-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.