2-(4-Methoxyphenoxy)-1,9-diphenyl-1,9-dihydropurin-6-one
作者:
Huang, NY;Ding, MW* ;Luo, ZG;Zuo, N;Zeng, XH;...
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2006年62(3):o1022-o1024 ISSN:2053-2296
通讯作者:
Ding, MW
作者机构:
[Ding, MW] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.;Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构:
[Ding, MW] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要:
The title compound, C24H18N4O3, has a planar bicyclic imidazolo[5,4-d]pyrimidine core. The planes of the phenyl and methoxyphenoxy substituents form substantial (>30°) dihedral angles with the imidazolopyrimidine plane. Inter-molecular C - H⋯O interactions link the molecules into infinite chains running along the a axis of the crystal structure. © 2006 International Union of Crystallography All rights reserved.
语种:
英文
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具有生物活性的α-(取代苯氧乙酰氧基)烃基(次)膦酸酯的研究与开发
作者:
贺红武
作者机构:
[贺红武] 华中师范大学化学学院教育部农药与化学生物学重点实验室农药化学研究所
会议名称:
第七届全国磷化学化工暨第四届海峡化学生物学、生物技术与医药发展讨论会
会议时间:
2006-04
会议地点:
中国河南郑州
摘要:
<正>大量研究结果表明膦酸衍生物是一类具有开发潜力的活性物质,为了获得具有农药活性的膦酸衍生物,为创制新靶标新结构的农药品种提供科学依据,本课题组在前期开展了对α-氧代膦酸衍生物性的系统研究。设计合成了13系列新型的芳(杂环)氧基烃基膦酸衍生物,发现了以丙酮酸脱氢酶系为靶标的-取代苯氧基乙酰氧基烃基(次)膦酸酯类化合物,近几年本研究重点选择取代苯氧乙酰氧基烃基膦酸酯(Ⅰ)为先导体,设计合成了多系列
语种:
中文
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丙酮酸脱氢酶系抑制剂-O,O-二烷基α-氧代烃基膦酸酯类化合物的定量构效关系研究
作者:
陈婷;贺红武
作者机构:
[陈婷; 贺红武] 华中师范大学化学学院教育部农药与化学生物学重点实验室农药化学研究所
会议名称:
第七届全国磷化学化工暨第四届海峡化学生物学、生物技术与医药发展讨论会
会议时间:
2006-04
会议地点:
中国河南郑州
会议论文集名称:
第七届全国磷化学化工暨第四届海峡化学生物学、生物技术与医药发展讨论会论文集
摘要:
<正>α-氧代烃基膦酸酯(盐)类化合物是本课题组在前期研究中发现的一类具有良好除草活性的化合物。初步的生化实验表明,该类化合物为植物体内的重要代谢酶丙酮酸脱氢酶系的抑制剂。为了进一步明确影响除草活性的主要因素,利用Tripos公司的Sybyl软件,采用比较分子场分析(CoMFA)及比较分子相似性指数分析 (CoMSIA)方法,从三维空间上对本课题组前期研究中合成的32个O,O-二烷基α-氧代烃基膦
语种:
中文
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丙酮酸脱氢酶系抑制剂类除草剂的设计和化学生物学研究
作者:
贺红武;袁均林;谭洪亮;王涛
作者机构:
[贺红武; 袁均林; 谭洪亮; 王涛] 教育部农药与化学生物学重点实验室华中师范大学化学学院农药化学研究所华中师范大学生命科学院
会议名称:
第四届全国化学生物学学术会议暨国际化学与生物/医学交叉研讨会
会议时间:
2005-10
会议地点:
中国湖北武汉
摘要:
<正>探索发现具有新靶标、新结构的除草剂活性化合物,对于开发具有原创性和我国发明专利权的新型高效安全的除草剂品种具有重要的科学意义。在目前国际上已开发应用的商品化除草剂中,未见有以丙酮酸脱氢酶系为靶标的商品化除草剂的报导。本研究选择丙酮酸脱氢酶系抑制剂为研究重点,运用酶化学机制进行靶标酶抑制剂设计的研究策略。研究发现了以丙酮酸脱氢酶系为靶标的除草剂新骨架
语种:
中文
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α-氧代膦酸衍生物对酶活性影响的研究(Ⅲ)-XLH<,18>对水稻幼苗抗氧化酶的作用与影响
作者:
袁均林;梅星元;贺红武;徐亮;刘钊杰
作者机构:
华中师范大学生科院(武汉);华中师范大学农药所(武汉)
会议名称:
中国化工学会农药专业委员会第十届年会
会议时间:
20000327
会议地点:
杭州
会议论文集名称:
中国化工学会农药专业委员会第十届年会论文集
关键词:
超氧物岐化酶;过氧化物酶;同工酶;氧代膦酸衍生物;酶活性;植物生长调节剂;生物活性;农药学
摘要:
以不同浓度的XLH<,18>(O,O-二甲基-α-(4,6-二氯嘧啶氨基甲酰氧基)-2-氯苄基膦酸酯)(以下简称为XLH<,18>)处理水稻幼苗,其过氧化物酶(POD),超氧物岐化酶(SOD)活性及其同工酶均发生相应变化,高浓度的XLH<,18>对POD、SOD活性有较强的抑制作用,同工酶谱带也相应减弱,低浓度的XLH<,18>则对POD、SOD活性有一定的激活作用,同工酶谱带相应增强,同时不同浓度的XLH<,18>对水稻幼苗细胞相对存活率表现其高浓度有很强的抑制作用,低浓度有一定的激活作用.
语种:
中文
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2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl-8,9,10, 11-tetrahydro-1-benzothieno-[2′,3′:2,3]pyrido[4,3-d]pyrimidin-4(3H) -one dichloromethane solvate
作者:
Liu, JC;He, HW* ;Ding, MW
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2005年61(11):o3686-o3687 ISSN:2053-2296
通讯作者:
He, HW
作者机构:
[He, HW; Liu, JC; Ding, MW] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构:
[He, HW] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
摘要:
In the structure of the title compound, C27H21Cl 2N3O2S·-CH2Cl2, the C-S bond lengths in the thiophene ring [1.744 (5) and 1.745 (5) Å] are equivalent and long compared with the values observed in both free thiophene, measured using electron diffraction, and thieno[2,3-c]pyridine. The central thienopyridine ring system is nearly planar and the dihedral angle between the thiophene and pyridine planes is 0.9(1)°. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.
语种:
英文
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A selective synthesis of 3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7- ones
作者:
Zhao, JF;Xie, C;Ding, MW* ;He, HW
期刊:
Chemistry Letters ,2005年34(7):1022-1023 ISSN:0366-7022
通讯作者:
Ding, MW
作者机构:
[He, HW; Zhao, JF; Xie, C; Ding, MW] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构:
[Ding, MW] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词:
fused pyrimidine derivatives;ring closure reactions
摘要:
The carbodiimides 2, obtained from aza-Wittig reactions of iminophosphorane 1 with aromatic isocyanates, reacted with primary amine RNH2 (R ≠ H, Me) to produce isolable guanidine intermediates 3, which were further treated with sodium ethoxide in a mixed solvent to give selectivly one of the regioisomer 4 via a base catalytic cyclization mechanism. However, another regioisomers 5 were obtained directly as RNH2 (R = H, Me) were used in the absence of sodium ethoxide, via a direct cyclization mechanism. Copyright © 2005 The Chemical Society of Japan.
语种:
英文
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O-甲基-α-羟基烃基膦酸酯单金属盐的合成及植物生长调节活性
作者:
廖桂红;贺红武
期刊:
应用化学 ,2005年22(9):933-936 ISSN:1000-0518
作者机构:
华中师范大学化学学院有机合成研究所,教育部农药与化学生物学重点实验室,武汉,430079;[贺红武; 廖桂红] 华中师范大学
关键词:
α-羟基烷基膦酸酯单金属盐;合成;植物生长调节活性
摘要:
合成了14个未见文献报道的O-甲基-α-羟基烃基膦酸酯单金属盐,通过IR、1H NMR和元素分析测试技术确证了它们的结构,并测定了它们的植物生长调节活性.生物测试结果表明,该类化合物对小麦和黄瓜具有不同程度的生长调节活性,其中化合物Ⅰ k在10μg/g剂量下对黄瓜子根显示了较高的促进活性.
语种:
中文
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5,6-Dianilino-3-(4-chlorophenyl)-3,6-dihydro-1,2,3-triazolo[4,5-d] pyrimidin-7-one
作者:
Zhao, JF;Hu, YG;Ding, MW* ;He, HW
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2005年61(9):o2791-o2792 ISSN:2053-2296
通讯作者:
Ding, MW
作者机构:
[He, HW; Zhao, JF; Hu, YG; Ding, MW] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构:
[Ding, MW] C;Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
摘要:
In the title compound, C22H16ClN7O, all ring atoms in the triazolopyrimidinone system are almost coplanar. The packing of the molecules in the crystal structure is mainly a result of π-π and N-H⋯N/O hydrogen-bonding interactions, forming a three-dimensional network. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.
语种:
英文
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植物源除草活性物质研究进展
作者:
莫文妍;贺红武
期刊:
农药市场信息 ,2005年(23):16-17
作者机构:
华中师范大学化学学院教育部农药与化学生物学重点实验室
语种:
中文
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3-(4-Fluorophenyl)-2-(4-methylphenoxy)-5,8,9-trimethylthieno[3′, 2′:5,6]pyrido[4,3-d]pyrimidin-4(3H)-one
作者:
Cui, ZP;Li, MT;Liu, JC;He, HW*
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2005年61(8):o2663-o2664 ISSN:2053-2296
通讯作者:
He, HW
作者机构:
[He, HW] Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Coll Chem, Wuhan 430079, Hubei, Peoples R China.;Cent China Normal Univ, Dept Chem, Wuhan 430079, Hubei, Peoples R China.
通讯机构:
[He, HW] C;Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Coll Chem, Wuhan 430079, Hubei, Peoples R China.
摘要:
In the title molecule, C25H20FN3O 2S, the central tricyclic system is essentially planar. All bond lengths and angles are within normal ranges. The crystal packing is stabilized by π-π stacking interactions and van der Waals forces. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.
语种:
英文
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Theoretical study toward understanding the catalytic mechanism of pyruvate decarboxylase
作者:
Wang, JY;Dong, H;Li, SH* ;He, HW
期刊:
JOURNAL OF PHYSICAL CHEMISTRY B ,2005年109(39):18664-18672 ISSN:1520-6106
通讯作者:
Li, SH
作者机构:
[Li, SH] Nanjing Univ, Lab Mesoscop Chem, Inst Theoret & Computat Chem, Dept Chem, Nanjing 210093, Peoples R China.;Cent China Normal Univ, Inst Organ Synth Chem Coll, Wuhan 430079, Peoples R China.
通讯机构:
[Li, SH] N;Nanjing Univ, Lab Mesoscop Chem, Inst Theoret & Computat Chem, Dept Chem, Nanjing 210093, Peoples R China.
摘要:
Density functional calculations are employed to explore the mechanisms of all elementary reaction steps involved in the catalytic cycle of pyruvate decarboxylase (PDC). Different models are constructed for mimicking the involvement of some key residues in a certain step. The effect of the protein framework on the potential energy profiles of active site models is approximately modeled by fixing some freedoms, based on the crystal structure of the PDC enzyme from Saccharomyces cerevisiae (ScPDC). Our calculations confirm that Glu51 is the most important residue in the formation of the ylide and the release of acetaldehyde via the proton relay between Glu51, N<inf>1'</inf>, and the 4'-amino group of thiamine diphosphate. The presence of Glu477 and Asp28 residues makes the decarboxylation of lactylthiamin diphosphate (LThDP) an endothermic process with a significant free energy barrier. The protonation of the α-carbanion to form 2-(1-hydroxyethyl)-thiamin diphosphate is found to go through a concerted double proton transfer transition state involving both Asp28 and His115 residues. The final step, acetaldehyde release, is likely to proceed through a concerted transition state involving carbon-carbon bond-breaking and the deprotonation of the α-hydroxyl group. The decarboxylation of LThDP and the protonation of the α-carbanion are two rate-limiting steps, relative to the facile occurrence of the ylide formation and acetaldehyde release. The catalytic roles of residues Glu51, Glu477, Asp28, and Gly417 in the active site of ScPDC in individual steps elucidated from the present study are in good agreement with those derived from site-directed mutagenesis. ©2005 American Chemical Society.
语种:
英文
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3-(2-Aminophenyl)-2-methylsulfanyl-5,6,7,8-tetra-hydrobenzothieno[2,3-d] pyrimidin-4(3H)-one
作者:
Zeng, XH;Wang, HM;Luo, ZG;Ding, MW;He, HW*
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2005年61(12):o4160-o4161 ISSN:2053-2296
通讯作者:
He, HW
作者机构:
[He, HW; Luo, ZG; Wang, HM; Zeng, XH; Ding, MW] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
通讯机构:
[He, HW] C;Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
摘要:
In the title compound, C17H17N3OS2, the fused thiophene and pyrimidine rings are almost coplanar. The amino group is involved in both intramolecular and intermolecular hydrogen bonds, the latter linking the molecules into a centrosymmetric dimer.
语种:
英文
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3-(4-Chlorophenyl)-5-methyl-2-propylamino-8,9,10,11-tetrahydro-2- benzothieno[2′,3′;2,3]-pyrido[4,5-d]pyrimidin-4(3H)-one
作者:
Liu, JC;Chen, HL;Chen, T;He, HW* ;Ding, MW
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2005年61(10):o3187-o3189 ISSN:2053-2296
通讯作者:
He, HW
作者机构:
[He, HW; Chen, HL; Chen, T; Liu, JC; Ding, MW] Cent China Normal Univ, Dept Chem, Wuhan 430079, Peoples R China.
通讯机构:
[He, HW] C;Cent China Normal Univ, Dept Chem, Wuhan 430079, Peoples R China.
摘要:
The asymmetric unit of the title compound, C 23 H 23 ClN 4 OS, contains two crystallographically independent molecules in which the orientations of the propylamine group and chlorophenyl rings with respect to the fused ring system are different. The terminal cyclohexene ring adopts a half-chair conformation. The crystal packing is stabilized by N-H ⋯ O, N-H ⋯ N and C-H ⋯ C) hydrogen bonds and π-π interactions. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.
语种:
英文
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8-(4-Chlorophenoxy)-7-(4-chlorophenyl)-1,2,5-trimethylthieno[2′, 3′;2,3]pyrido[4,5-d]pyrimidin-6(7H)-one
作者:
Liu, JC;Peng, H;Meng, XG;Ding, MW;He, HW*
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2005年61(10):o3259-o3260 ISSN:2053-2296
通讯作者:
He, HW
作者机构:
[Meng, XG; He, HW; Liu, JC; Peng, H; Ding, MW] Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构:
[He, HW] C;Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
摘要:
In the molecule of the title compound, C24H17Cl 2N3N3O2S, the mean plane of the tricyclic thienopyridopyrimidine syste is roughly orthogonal to both benzene planes, the dihedral angles being 107.8 (1) and 99.6 (1)° for the benzene planes in the/p-chlorophenoxy and p-chlorophenyl groups, respectively. The dihedral angle formed by the two benzene rings is 101.4 (1)°. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.
语种:
英文
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吡啶并嘧啶类化合物的合成研究进展
作者:
Ren, QY* ;Wang, T;Liu, JC;He, HW
期刊:
有机化学 ,2005年25(12):1530-1541 ISSN:0253-2786
通讯作者:
Ren, QY
作者机构:
[He, HW; Ren, QY; Wang, T; Liu, JC] Cent China Normal Univ, Inst Organ Synth, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
通讯机构:
[Ren, QY] C;Cent China Normal Univ, Inst Organ Synth, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
关键词:
吡啶并嘧啶类化合物;合成;进展
摘要:
综述了近二十年来吡啶并嘧啶类化合物的合成研究进展,介绍了三大类吡啶并嘧啶类化合物的主要结构类型:吡啶并[2,3-d]嘧啶类化合物、吡啶并[1,2-a]嘧啶类化合物、吡啶并[4,3-d]嘧啶类化合物的相关合成方法及新进展.
语种:
中文
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3-(4-methoxyphenoxy)-2-phenyl-3H-1-benzofuro[3,2-d]pyrimidin-1-one
作者:
Hu, YG;Li, GH;Tian, JH;Ding, MW* ;He, HW
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2005年61(10):o3266-o3268 ISSN:2053-2296
通讯作者:
Ding, MW
作者机构:
[Ding, MW] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.;Yunyang Med Coll, Dept Med Chem, Shiyan 442000, Peoples R China.
通讯机构:
[Ding, MW] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要:
In the title compound, C23H16N2O 4, the molecules form a supramolecular structure via intermolecular C-H⋯O hydrogen bonds and intermolecular π-π interactions. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.
语种:
英文
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3-lsopropyl-2-propoxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-c/] pyrimidin-4(3H)-one
作者:
Zeng, XH* ;Yuan, JZ;Huang, NY;Ding, MW;He, HW
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2005年61(12):o4336-o4337 ISSN:2053-2296
通讯作者:
Zeng, XH
作者机构:
[He, HW; Huang, NY; Yuan, JZ; Zeng, XH; Ding, MW] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构:
[Zeng, XH] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
摘要:
In the title compound, C16H22N2O 2S, the fused thiophene and pyrimidine rings are almost coplanar. The packing of the molecules in the crystal structure is mainly due to intermolecular C-H⋯O hydrogen-bonding interactions, resulting in the formation of a zigzag chain. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.
语种:
英文
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O-甲基-α-羟基烃基膦酸酯单金属盐的合成
作者:
廖桂红;贺红武
期刊:
合成化学 ,2005年13(1):25-28 ISSN:1005-1511
作者机构:
[廖桂红; 贺红武] 华中师范大学化学学院有机合成研究所;教育部农药与化学生物学重点实验室;教育部农药与化学生物学重点实验室 湖北武汉430079
关键词:
羟基烃基膦酸酯;膦酸酯单金属盐;合成
摘要:
以KF-Al2O3为催化剂,通过亚膦酸二甲酯与各种酮加成反应,生成一系列α-羟基烃基膦酸酯,它们再与不同的碱金属盐作用合成了12个未见文献报道的O-甲基-α-羟基烃基膦酸酯单金属盐.通过1H NMR,IR和元素分析确证了它们的结构.
语种:
中文
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水稻和野稗的丙酮酸脱羧酶的同源模建以及与除草活性分子的分子对接研究
作者:
熊英;张青叶;贺红武;湛昌国
作者机构:
[熊英; 张青叶; 贺红武; 湛昌国] 教育部农药与化学生物学重点实验室华中师范大学化学学院
会议名称:
第四届全国化学生物学学术会议暨国际化学与生物/医学交叉研讨会
会议时间:
2005-10
会议地点:
中国湖北武汉
会议论文集名称:
第四届全国化学生物学学术会议暨国际化学与生物/医学交叉研讨会论文集
摘要:
<正>为了开展基于靶标酶结构的农药分子设计,我们选择水稻与野稗的丙酮酸脱羧酶为研究对象,进行靶标酶抑制剂的分子设计,以便为设计高活性,高选择性的新型除草剂提供理论依据。本研究首先利用SYBYL6.9软件包中的COMPOSER模块模拟出两种植物:野稗(杂草)和水稻(作
语种:
中文
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