CAS号:947669-91-2-WWL70 - 4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate-科华智慧

1. 主信息

英文名:	4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate
中文名:	WWL70
CAS编号:	947669-91-2
化学分子式：	C₂₇H₂₃N₃O₃
化学分子量：	437.5 g/mol
SMILES：	CN(CC1=CC(=CC=C1)C2=CC=NC=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N
来源：	合成化合物
结构类型：	-
其它名称或标识：	N-methyl-N-((3-(4-pyridinyl)phenyl)methyl)-4'-(aminocarbonyl)(1,1'-biphenyl)-4-yl ester, carbamic acid WWL70

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%	633	2-8℃	现货	-
科华智慧	10mg	98%	1056	2-8℃	现货	-
科华智慧	25mg	98%	2144	2-8℃	现货	-
科华智慧	50mg	98%	3712	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 56 59 0 0 0 0 0 0 0999 V2000 1.3103 1.8037 -0.6333 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 3.3584 1.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0771 -0.0687 0.0988 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 3.1781 0.0696 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7972 -4.8634 -0.2946 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4210 -2.1947 0.6541 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9424 2.5413 -0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 1.3251 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 -1.0560 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0078 0.0735 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8335 1.4472 0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8512 -0.9339 0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0036 -2.3545 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4538 0.3176 0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 0.6669 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0872 0.2736 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6358 4.2297 0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7036 2.8288 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0298 1.4254 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 0.0370 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 1.6760 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 0.4161 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 2.0552 -1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4097 -1.0374 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1008 1.2069 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 -3.5018 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6184 -2.4603 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7594 -0.4818 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7457 -1.4152 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4369 0.8292 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 -4.7211 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 -3.7263 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1526 -0.8749 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6879 3.2709 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 2.2620 -1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 -0.0034 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 2.4158 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3565 -1.7803 1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4031 0.4143 1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4349 3.8065 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8932 4.6847 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 5.0051 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 -0.7306 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0723 2.1732 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3738 -0.0680 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 2.8366 -1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6551 -1.8050 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8973 2.2459 -0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -3.4889 -0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 -1.6110 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9231 -2.4500 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2088 1.5759 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7052 -5.6453 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 -3.8634 -0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3858 -2.4962 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7327 -2.9141 0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 18 2 0 0 0 0 3 33 2 0 0 0 0 4 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 31 2 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 55 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 36 1 0 0 0 0 11 14 2 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 13 26 2 0 0 0 0 13 27 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 24 2 0 0 0 0 16 25 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 29 1 0 0 0 0 24 47 1 0 0 0 0 25 30 2 0 0 0 0 25 48 1 0 0 0 0 26 31 1 0 0 0 0 26 49 1 0 0 0 0 27 32 2 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 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

[4-(4-carbamoylphenyl)phenyl] N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate

4.2 InChl

InChI=1S/C27H23N3O3/c1-30(18-19-3-2-4-24(17-19)22-13-15-29-16-14-22)27(32)33-25-11-9-21(10-12-25)20-5-7-23(8-6-20)26(28)31/h2-17H,18H2,1H3,(H2,28,31)

4.3 InChlKey

QTWNORFUQILKJL-UHFFFAOYSA-N

4.4 Canonical SMILES

CN(CC1=CC(=CC=C1)C2=CC=NC=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)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