CAS号:1029712-80-8-INCB28060 - Capmatinib-科华智慧

1. 主信息

英文名:	Capmatinib
中文名:	INCB28060
CAS编号:	1029712-80-8
化学分子式：	C₂₃H₁₇FN₆O
化学分子量：	412.4 g/mol
SMILES：	CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-fluoro-4-(7-((quinolin-6-yl)methyl)imidazo(1,2-b)(1,2,4)triazin-2-yl)benzoic acid 2-fluoro-4-(7-((quinolin-6-yl)methyl)imidazo(1,2-b)-(1,2,4)triazin-2-yl)benzamide 2-fluoro-n-methyl-4-(7-((quinolin-6-yl)methyl)imidazo(1,2- b)(1,2,4)triazin-2-yl)benzamide dihydrochloride monohydrate 2-fluoro-N-methyl-4-(7-(quinolin-6-yl-methyl)imidazo(1,2-b)(1,2,4)triazin-2-yl)benzamide 2-fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo(1,2-b)(1,2,4)triazin-2-yl)benzamide

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%	584	-20℃	现货	-
科华智慧	10mg	99%	704	-20℃	现货	-
科华智慧	50mg	99%	2240	-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 48 52 0 0 0 0 0 0 0999 V2000 -3.3573 -0.2953 -1.7865 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 0.2346 1.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 1.8469 -0.2821 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2649 1.3488 -0.3545 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 3.1968 0.2246 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9725 3.8141 0.9262 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3756 -4.3442 1.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7344 0.2148 -0.9414 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6283 -0.0491 -1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 1.2644 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0263 -1.1799 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 -1.5993 -1.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9001 3.0227 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 -2.6645 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 2.1146 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7571 -1.8217 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 2.0824 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -3.3206 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 1.6470 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1887 -2.8806 0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 3.3861 0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1474 -3.1070 -0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 0.8658 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 2.0182 1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7181 0.8266 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8865 0.4555 -0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 1.6081 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -4.1616 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 -4.7408 1.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 0.4006 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1160 -0.1834 -1.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6558 -0.3124 -1.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 0.1039 -2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1546 -1.1063 -1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 2.0048 -0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7721 -1.5103 0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7818 -3.3666 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0559 3.9930 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7536 -2.6312 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9266 0.5710 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 2.6020 2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 1.9061 2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6902 -4.5159 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 -5.5687 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 0.4151 -1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2121 -0.7740 -2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7265 0.7194 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4396 -0.7715 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 30 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 17 2 0 0 0 0 5 13 2 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 21 2 0 0 0 0 7 18 1 0 0 0 0 7 29 2 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 14 18 2 0 0 0 0 14 22 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 28 2 0 0 0 0 22 39 1 0 0 0 0 23 26 1 0 0 0 0 23 40 1 0 0 0 0 24 27 2 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

4.2 InChl

InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)

4.3 InChlKey

LIOLIMKSCNQPLV-UHFFFAOYSA-N

4.4 Canonical SMILES

CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)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