CAS号:221243-82-9-1-Naphthyl PP1 - 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine-科华智慧

1. 主信息

英文名:	1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
中文名:	1-Naphthyl PP1
CAS编号:	221243-82-9
化学分子式：	C₁₉H₁₉N₅
化学分子量：	317.4 g/mol
SMILES：	CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N
来源：	合成化合物
结构类型：	-
其它名称或标识：	1-NA-PP1 compound 1-tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine

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%	403	-20℃	现货	-
科华智慧	10mg	98%	736	-20℃	现货	-
科华智慧	25mg	98%	1472	-20℃	现货	-
科华智慧	50mg	98%	2880	-20℃	现货	-
科华智慧	100mg	98%	4864	-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 43 46 0 0 0 0 0 0 0999 V2000 2.1284 0.8353 -0.1243 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8929 1.2316 -0.4825 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -1.1818 0.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8635 -3.1371 0.4508 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 -3.0111 -0.1219 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1889 1.8102 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2238 -0.5037 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3245 1.4433 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 1.8428 1.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 3.2546 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 -1.0214 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 0.0964 -0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 0.1213 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2186 0.3168 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7966 -2.3909 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 0.3287 -0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 -0.0601 -2.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9062 0.5008 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 0.1449 -1.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8774 -0.0481 -2.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 -2.4953 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5778 0.5242 0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 0.6935 2.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2492 0.7051 2.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 2.2071 -1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8069 0.4936 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 1.3603 -2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2075 0.8978 1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5024 2.6217 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9399 2.0514 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5837 3.9589 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 3.3220 -1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 3.6016 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7728 -0.2128 -2.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8812 0.5008 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9224 0.1504 -1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1328 -0.1894 -3.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 -3.1222 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6266 0.5372 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 -2.4807 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 -4.0094 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6612 0.8347 3.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0348 0.8553 2.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 12 2 0 0 0 0 3 7 2 0 0 0 0 3 21 1 0 0 0 0 4 15 1 0 0 0 0 4 21 2 0 0 0 0 5 15 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 23 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine

4.2 InChl

InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)

4.3 InChlKey

XSHQBIXMLULFEV-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N

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