CAS号:844442-38-2-AT7519 - 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide-科华智慧

1. 主信息

英文名:	4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
中文名:	AT7519
CAS编号:	844442-38-2
化学分子式：	C₁₆H₁₇Cl₂N₅O₂
化学分子量：	382.2 g/mol
SMILES：	C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
来源：	合成化合物
结构类型：	-
其它名称或标识：	4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide AT 7519 AT-7519 AT7519

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%	288	-20℃	现货	-
科华智慧	10mg	≥99%	512	-20℃	现货	-
科华智慧	25mg	≥99%	960	-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 42 44 0 0 0 0 0 0 0999 V2000 -3.6026 -0.3063 2.6446 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 0.4111 -2.7650 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 1.1059 0.3725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 -2.0991 -0.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.9991 -0.6116 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1154 0.0503 0.4055 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -2.3797 -0.0508 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2863 -0.6672 -0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0077 -3.4472 -0.2675 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 1.2585 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 1.9111 -0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1433 0.9855 1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 1.1537 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2263 0.2738 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7264 0.0622 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -1.2425 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 -1.5267 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2193 -2.9198 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6491 -0.9843 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5863 0.1642 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0579 0.5254 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9617 0.8434 -1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9357 1.6040 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8395 1.9221 -1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3263 2.3024 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 1.9557 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5812 2.9388 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3624 1.9826 -1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9009 0.3894 2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 1.9421 1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9952 0.1721 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6335 1.7119 -2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 0.2030 1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 -0.7536 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2556 0.4915 -1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 -0.8118 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7935 -2.5363 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0534 -3.5868 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 0.3107 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3245 1.9138 2.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1542 2.4772 -1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0098 3.1424 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 15 2 0 0 0 0 4 19 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 35 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 37 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 39 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

4.2 InChl

InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)

4.3 InChlKey

OVPNQJVDAFNBDN-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl

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