CAS号:1233855-46-3-BIA 10-2474 - 3-(1-(cyclohexyl(methyl)carbamoyl)-1H-imidazol-4-yl)pyridine 1-oxide-科华智慧

1. 主信息

英文名:	3-(1-(cyclohexyl(methyl)carbamoyl)-1H-imidazol-4-yl)pyridine 1-oxide
中文名:	BIA 10-2474
CAS编号:	1233855-46-3
化学分子式：	C₁₆H₂₀N₄O₂
化学分子量：	300.36 g/mol
SMILES：	CN(C1CCCCC1)C(=O)N2C=C(N=C2)C3=C[N+](=CC=C3)[O-]
来源：	合成化合物
结构类型：	-
其它名称或标识：	3-(1-(cyclohexyl(methyl)carbamoyl)-1H-imidazol-4-yl)pyridine 1-oxide BIA 10-2474

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%	360	-20℃	现货	-
科华智慧	5mg	98%	456	-20℃	现货	-
科华智慧	10mg	98%	784	-20℃	现货	-
科华智慧	25mg	98%	1560	-20℃	现货	-
科华智慧	50mg	98%	2720	-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 44 0 0 0 0 0 0 0999 V2000 2.0512 2.2385 -0.6178 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6547 0.3574 -0.5376 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2496 -0.0247 -0.0407 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1829 1.1347 -0.0287 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 1.9486 0.3793 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5596 -0.2197 -0.2380 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6684 -0.0532 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4574 0.3496 0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0933 -1.4339 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 0.2739 0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5997 -1.5082 -1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3843 -1.1027 0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7234 -1.1922 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 1.1769 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 0.0977 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5961 2.2365 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 0.6179 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1696 -0.1328 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 0.4863 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 -1.4842 0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3519 -2.2044 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -1.5621 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8906 0.6791 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 -0.2943 1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1912 1.3702 1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5684 -1.6676 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8476 -2.2373 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2555 1.0370 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 0.5036 1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 -2.5256 -1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8714 -0.8480 -1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4568 -1.1010 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 -1.8464 0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -1.6017 1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8827 -0.9384 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 -1.9620 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 -0.8792 -0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1658 3.2181 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4759 1.5285 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2474 -2.0045 0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3548 -3.2589 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5041 -2.0509 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 16 2 0 0 0 0 5 17 1 0 0 0 0 6 19 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 17 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M CHG 2 2 -1 6 1

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4. 国际命名与标识

4.1 IUPAC Name

N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide

4.2 InChl

InChI=1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3

4.3 InChlKey

DOWVMJFBDGWVML-UHFFFAOYSA-N

4.4 Canonical SMILES

CN(C1CCCCC1)C(=O)N2C=C(N=C2)C3=C[N+](=CC=C3)[O-]

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