CAS号:869357-68-6-AZD8330 - 2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide-科华智慧

1. 主信息

英文名:	2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
中文名:	AZD8330
CAS编号:	869357-68-6
化学分子式：	C₁₆H₁₇FIN₃O₄
化学分子量：	461.23 g/mol
SMILES：	CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide ARRY-424704 ARRY-704 AZD8330

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%	224	-20℃	现货	-
科华智慧	2mg	98%	320	-20℃	现货	-
科华智慧	5mg	98%	505	-20℃	现货	-
科华智慧	10mg	98%	960	-20℃	现货	-
科华智慧	25mg	98%	1664	-20℃	现货	-
科华智慧	50mg	98%	2880	-20℃	现货	-
科华智慧	100mg	98%	4160	-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 42 43 0 0 0 0 0 0 0999 V2000 4.7915 3.0446 1.8009 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 2.1804 -2.5265 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7118 1.3762 0.8566 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -2.8765 -0.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5186 -2.3067 -1.9345 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4673 -4.7145 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 1.2261 -0.1098 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 1.0234 -1.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3762 -2.0653 0.1921 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5014 0.4337 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 -0.9092 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 -0.7824 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7557 0.7005 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7738 -1.5075 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 2.6792 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 1.4718 -0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5312 -1.8356 -0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0392 -1.3798 1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8107 2.0535 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 1.3516 0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 2.5024 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 1.8005 1.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 2.3760 0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -2.4884 0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7786 -3.3541 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7887 -2.5895 0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5484 1.4209 -2.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 2.9175 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4222 3.1787 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 3.0629 0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -2.4712 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9263 -1.1344 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1811 -0.9959 2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1051 0.9123 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 -1.6468 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 2.9476 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 1.6926 2.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 -1.4348 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 -2.6248 1.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 -3.0739 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 -3.2776 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 -4.7894 1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 3 13 2 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 17 2 0 0 0 0 6 25 1 0 0 0 0 6 42 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 27 1 0 0 0 0 9 17 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 14 26 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide

4.2 InChl

InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)

4.3 InChlKey

RWEVIPRMPFNTLO-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO

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