CAS号:77422-99-2-PD 90780 - 7-Benzamido-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid-科华智慧

1. 主信息

英文名:	7-Benzamido-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid
中文名:	PD 90780
CAS编号:	77422-99-2
化学分子式：	C₁₉H₁₄N₄O₄
化学分子量：	362.3 g/mol
SMILES：	CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N4C1=CC(=N4)C(=O)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	7-benzamido-4-methyl-9-oxo-4H-pyrazolo(5,1-b)quinazoline-2-carboxylic acid 7-benzolylamino-4,9-dihydro-4-methyl-9-oxopyrazolo(5,1-b)quinazoline-2-carboxylic acid PD 90780 PD-90780

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%	880	-20°C	现货	-
科华智慧	10mg	99%	1440	-20°C	现货	-
科华智慧	25mg	99%	2800	-20°C	现货	-
科华智慧	100mg	99%	8000	-20°C	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 -1.7652 -2.2934 0.1202 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5943 -0.0018 -0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0096 -2.1958 0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 1.9149 -0.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4895 1.6714 -0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2108 -0.5775 0.0348 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2926 -1.3776 0.0706 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8848 -0.0856 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1271 1.2623 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5087 0.7623 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7994 -0.1151 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9182 -1.0832 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 -0.5722 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 2.1634 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8849 0.8286 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5599 0.3510 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7872 3.0996 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2762 1.7131 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3098 -0.5139 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6597 -1.0006 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 0.6918 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 -0.0713 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4544 0.5263 0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 -1.3520 -0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6515 -0.1897 0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 -2.0681 -0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 -1.4868 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7374 -1.6363 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 3.2369 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4947 1.7195 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8611 3.3132 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 3.5391 -1.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3766 3.6240 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0271 2.4900 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9816 -1.0926 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4389 1.5328 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4746 -1.8277 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5518 0.2623 0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5702 -3.0747 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5079 -0.3590 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6244 -2.0437 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 20 1 0 0 0 0 2 40 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 19 2 0 0 0 0 8 16 1 0 0 0 0 8 21 1 0 0 0 0 8 35 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 16 2 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

7-benzamido-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid

4.2 InChl

InChI=1S/C19H14N4O4/c1-22-15-8-7-12(20-17(24)11-5-3-2-4-6-11)9-13(15)18(25)23-16(22)10-14(21-23)19(26)27/h2-10H,1H3,(H,20,24)(H,26,27)

4.3 InChlKey

IAZAGXDMMVWYKF-UHFFFAOYSA-N

4.4 Canonical SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)N4C1=CC(=N4)C(=O)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