CAS号:817194-38-0-GSK180736A - 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide-科华智慧

1. 主信息

英文名:	4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
中文名:	GSK180736A
CAS编号:	817194-38-0
化学分子式：	C₁₉H₁₆FN₅O₂
化学分子量：	365.4 g/mol
SMILES：	CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4
来源：	合成化合物
结构类型：	-
其它名称或标识：	4-(4-Fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide 5-Pyrimidinecarboxamide, 4-(4-fluorophenyl)-1,2,3,4-tetrahydro-N-1H-indazol-5-yl-6-methyl-2-oxo- GSK180736A

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	1mg	98%	216	-20℃	现货	-
科华智慧	5mg	98%	496	-20℃	现货	-
科华智慧	10mg	98%	680	-20℃	现货	-
科华智慧	25mg	98%	1440	-20℃	现货	-
科华智慧	50mg	98%	2720	-20℃	现货	-
科华智慧	100mg	98%	4400	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 43 46 0 1 0 0 0 0 0999 V2000 -1.3723 -4.9058 -0.4336 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 2.1012 1.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6483 1.6367 -0.1599 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8546 0.6761 0.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5403 2.2758 -0.7912 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5153 0.5254 -0.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9462 -0.2861 -0.3521 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 0.5163 0.6306 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 0.4187 1.0296 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6062 1.3929 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 -0.9985 0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1665 2.2477 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 1.3877 0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4266 1.5315 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8978 -1.6035 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -1.7063 1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 3.2169 -1.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9074 0.2685 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1166 0.6630 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 0.9327 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 -2.9250 -0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8684 -3.0276 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5915 -0.2447 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 -0.6350 -1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -3.6370 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 -0.9138 -1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2725 1.0922 1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2128 0.5642 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4849 0.1473 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9315 2.9203 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6817 -1.0784 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5358 -1.2456 2.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 4.2417 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 2.9948 -2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 3.1850 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0379 0.0133 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 1.6431 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2209 -3.3986 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0784 -3.5821 1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7168 -1.1408 -2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1527 -1.6182 -2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3462 1.8013 1.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 -0.8407 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 30 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 43 1 0 0 0 0 8 27 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 16 22 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 19 27 1 0 0 0 0 20 37 1 0 0 0 0 21 25 2 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 26 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4.2 InChl

InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)

4.3 InChlKey

HEAIGWIZTYAQTC-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型