CAS号:154563-54-9-SP-100030 - N-[3,5-Bis(trifluoromethyl)phenyl]-2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxamide-科华智慧

1. 主信息

英文名:	N-[3,5-Bis(trifluoromethyl)phenyl]-2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxamide
中文名:	SP-100030
CAS编号:	154563-54-9
化学分子式：	C₁₄H₅ClF₉N₃O
化学分子量：	437.65 g/mol
SMILES：	C1=C(C=C(C=C1C(F)(F)F)NC(=O)C2=CN=C(N=C2C(F)(F)F)Cl)C(F)(F)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide SP 100030 SP-100030 SP100030

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%	720	-20°C	现货	-
科华智慧	10mg	98%	1200	-20°C	现货	-
科华智慧	25mg	98%	2400	-20°C	现货	-
科华智慧	100mg	98%	7200	-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 33 34 0 0 0 0 0 0 0999 V2000 6.9035 1.1220 1.1317 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9504 -2.4176 0.0809 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1651 -3.2763 -0.8021 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3452 -3.1352 1.3604 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3209 2.2534 -0.2175 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8748 3.3856 0.9361 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6687 3.2462 -1.2243 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7912 -0.6816 -1.8621 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1594 0.8230 -2.6156 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8095 -1.2449 -2.4432 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1354 -1.8425 0.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4162 0.3879 0.3959 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8626 0.3840 -0.3102 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 0.4688 2.0798 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 0.2706 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 -1.1073 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 1.2963 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 1.4136 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5663 -0.9899 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7394 0.0359 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7721 -0.1914 0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3601 -0.6379 0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5902 -2.4544 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9848 2.5183 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 -0.0210 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 0.0612 1.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -0.2743 -1.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 0.6075 0.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 2.3987 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -1.9151 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8186 -0.0556 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7764 1.3398 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7127 -0.0511 2.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 6 24 1 0 0 0 0 7 24 1 0 0 0 0 8 27 1 0 0 0 0 9 27 1 0 0 0 0 10 27 1 0 0 0 0 11 22 2 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 12 32 1 0 0 0 0 13 25 2 0 0 0 0 13 28 1 0 0 0 0 14 26 1 0 0 0 0 14 28 2 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 17 24 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 26 2 0 0 0 0 25 27 1 0 0 0 0 26 33 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide

4.2 InChl

InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)

4.3 InChlKey

GHMKQBWHPQMXSH-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=C(C=C(C=C1C(F)(F)F)NC(=O)C2=CN=C(N=C2C(F)(F)F)Cl)C(F)(F)F

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