CAS号:1403764-72-6-PFI-1 - 2-Methoxy-N-(3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinazolin-6-Yl)benzenesulfonamide-科华智慧

1. 主信息

英文名:	2-Methoxy-N-(3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinazolin-6-Yl)benzenesulfonamide
中文名:	PFI-1
CAS编号:	1403764-72-6
化学分子式：	C₁₆H₁₇N₃O₄S
化学分子量：	347.4 g/mol
SMILES：	CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide

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	99%	312	-20℃	现货	-
科华智慧	10mg	99%	440	-20℃	现货	-
科华智慧	25mg	99%	920	-20℃	现货	-
科华智慧	50mg	99%	1600	-20℃	现货	-
科华智慧	100mg	99%	2560	-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 43 0 0 0 0 0 0 0999 V2000 2.8482 1.5507 0.3000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6274 -0.2060 -0.9769 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 1.4067 1.0819 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7378 2.6257 -0.6672 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 -1.2523 1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0578 -1.0608 0.5049 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 0.8827 -0.7813 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 1.5730 1.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 0.1487 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 -0.9964 1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 1.0522 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 0.3273 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1868 1.3987 0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 2.1268 -0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5148 -0.1414 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 2.2980 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6082 0.0231 -0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9099 -2.1686 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 -1.1995 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.0529 -1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -2.3922 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 -1.1399 -2.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -2.3625 -1.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2798 -2.5471 1.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2266 -1.9384 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9081 -0.9299 2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2261 -0.3760 1.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.5616 -1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 2.8369 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 3.1557 -0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6403 1.1377 2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0827 -2.0976 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8733 -2.1534 0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3997 -3.1088 0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 0.9888 -2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 -3.3787 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 -1.1169 -3.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 -3.2906 -2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 -2.3997 3.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -3.1098 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 -3.0999 1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 5 19 1 0 0 0 0 5 24 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide

4.2 InChl

InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)

4.3 InChlKey

TXZPMHLMPKIUGK-UHFFFAOYSA-N

4.4 Canonical SMILES

CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=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