CAS号:152814-89-6-RS-25344 - 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione-科华智慧

1. 主信息

英文名:	1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
中文名:	RS-25344
CAS编号:	152814-89-6
化学分子式：	C₁₉H₁₃N₅O₄
化学分子量：	375.3 g/mol
SMILES：	C1=CC(=CC(=C1)[N+](=O)[O-])N2C3=C(C=CC=N3)C(=O)N(C2=O)CC4=CC=NC=C4
来源：	合成化合物
结构类型：	-
其它名称或标识：	8-aza-1-(3-nitrophenyl)-3-(4-pyridylmethyl)-2,4-quinazoline-dione RS 25344 RS-25344

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	5mg	98%	2240	-20℃	现货	-
科华智慧	10mg	98%	3360	-20℃	现货	-
科华智慧	25mg	98%	6080	-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 41 44 0 0 0 0 0 0 0999 V2000 -0.2889 -1.1664 -1.7942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 2.2722 -0.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4345 -2.5916 1.0680 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5239 -2.4584 2.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 0.4642 -0.9892 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6364 0.5981 -0.5874 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 2.4301 0.7396 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2649 -2.1536 1.1846 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7157 -2.7962 1.3631 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4538 1.8339 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8172 2.3890 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 -0.2690 -1.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 -0.1203 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 1.7169 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 0.0805 -0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5029 -1.1567 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0059 3.5937 0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4635 -0.7764 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 0.4396 -1.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 4.2130 1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -1.2787 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 3.5918 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5369 -0.6599 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 -2.4593 -0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 -0.0626 -1.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5629 -0.9219 -0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -1.5165 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7018 -3.2354 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5317 -0.8674 -2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5844 0.4410 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 4.0563 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 -1.0394 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 1.1078 -2.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0522 5.1438 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1758 4.0198 1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9046 0.3539 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 -2.8752 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 0.2155 -2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -1.2935 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9239 -1.1849 1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4036 -4.2651 0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 22 2 0 0 0 0 8 21 1 0 0 0 0 9 27 2 0 0 0 0 9 28 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 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 25 2 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 26 2 0 0 0 0 22 35 1 0 0 0 0 23 27 1 0 0 0 0 23 36 1 0 0 0 0 24 28 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 M CHG 2 3 -1 8 1

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4. 国际命名与标识

4.1 IUPAC Name

1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

4.2 InChl

InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2

4.3 InChlKey

YLHRMVRLIOIWTO-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C3=C(C=CC=N3)C(=O)N(C2=O)CC4=CC=NC=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