CAS号:1118460-77-7-CS-2757 - 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-YL)-5-oxo-4H-chromene-3-carbonitrile-科华智慧

1. 主信息

英文名:	2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-YL)-5-oxo-4H-chromene-3-carbonitrile
中文名:	CS-2757
CAS编号:	1118460-77-7
化学分子式：	C₂₇H₂₂N₂O₃
化学分子量：	422.5 g/mol
SMILES：	COC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC5=CC=CC=C54)N)C#N
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile UCPH 101 UCPH-101 UCPH101

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	1mg	98%	400	2-8°C	现货	-
科华智慧	5mg	98%	1120	2-8°C	现货	-
科华智慧	10mg	98%	1760	2-8°C	现货	-
科华智慧	25mg	98%	3600	2-8°C	现货	-
科华智慧	50mg	98%	5600	2-8°C	现货	-
科华智慧	100mg	98%	8640	2-8°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 54 58 0 1 0 0 0 0 0999 V2000 0.5700 2.2688 -1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9854 0.0019 2.7958 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8949 -3.8738 0.0914 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 3.4397 -2.4864 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3031 2.8430 -0.6743 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 0.2819 0.6104 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4192 1.4550 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 0.3644 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 1.0763 0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 1.5856 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3888 1.1970 0.5819 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3985 0.2014 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 0.4242 1.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8133 2.1348 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1592 -0.5033 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0633 -0.1665 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9201 2.6085 -1.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0175 0.8609 1.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5677 -0.5397 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4027 0.8248 1.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5531 -1.1727 -1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9433 -0.6083 1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 -0.9706 -0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1741 0.1294 0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3287 -1.2444 -1.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 2.5260 -0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3245 -1.8678 -2.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5589 -1.8540 1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 -2.2164 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7097 -1.9036 -2.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 -2.6580 0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5799 -4.6445 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 -0.6515 0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8551 2.4003 0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7719 1.3071 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5005 -0.5138 2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5022 1.2676 2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 1.6694 1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4815 1.4465 2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8857 1.3445 2.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4814 -1.1703 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 0.0069 2.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 -0.6455 -1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2553 0.1161 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4128 -1.2857 -0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1679 3.7539 -2.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4742 3.7361 -3.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8443 -2.3780 -3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -2.1928 2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 -2.7897 -1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3098 -2.4440 -2.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1451 -5.5796 -0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9049 -4.1426 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5185 -4.9138 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 17 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 5 26 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 33 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 13 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 27 1 0 0 0 0 21 41 1 0 0 0 0 22 28 1 0 0 0 0 22 42 1 0 0 0 0 23 29 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 30 1 0 0 0 0 25 45 1 0 0 0 0 27 30 2 0 0 0 0 27 48 1 0 0 0 0 28 31 2 0 0 0 0 28 49 1 0 0 0 0 29 31 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-amino-4-(4-methoxyphenyl)-7-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

4.2 InChl

InChI=1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,25H,13-14,29H2,1H3

4.3 InChlKey

YBMGNDPBARCLFT-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC5=CC=CC=C54)N)C#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