CAS号:139298-40-1-KN-93 - Methoxybenzene-sulfonamide-科华智慧

1. 主信息

英文名:	Methoxybenzene-sulfonamide
中文名:	KN-93
CAS编号:	139298-40-1
化学分子式：	C₂₆H₂₉ClN₂O₄S
化学分子量：	501.0 g/mol
SMILES：	CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-(N-(2-hydroxyethyl)-N-(4-methoxybenzenesulfonyl))amino-N-(4-chlorocinnamyl)-N-methylbenzylamine Benzenesulfonamide, N-(2-(((3-(4-chlorophenyl)-2-propenyl)methylamino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxy- KN 93 KN-93 KN93

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%	192	2-8℃	现货	-
科华智慧	2mg	98%	288	2-8℃	现货	-
科华智慧	5mg	98%	384	2-8℃	现货	-
科华智慧	10mg	98%	640	2-8℃	现货	-
科华智慧	25mg	98%	1344	2-8℃	现货	-
科华智慧	50mg	98%	2560	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 63 65 0 1 0 0 0 0 0999 V2000 6.3050 -4.2084 -0.5675 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 -0.3703 0.8387 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 0.5647 1.9096 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 -1.2900 0.9853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6254 0.0423 -2.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7695 -3.6523 0.0253 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7593 0.4860 -0.6703 N 0 0 2 0 0 0 0 0 0 0 0 0 0.9210 2.8434 1.3033 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.4233 1.7493 -0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7361 2.9375 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 2.9290 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7316 -0.3509 -1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -1.3530 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 1.7836 -1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 4.1601 -0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3469 2.7777 1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 0.1252 -2.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4416 3.0062 -1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7542 4.1944 -0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 3.9860 1.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 -2.6351 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6123 -0.8433 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9039 1.4074 1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4006 -3.4076 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 -1.6158 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6519 -2.8979 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 1.1645 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 -0.1579 0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3367 -1.1909 1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -0.3774 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0161 -3.0701 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8965 -2.4434 0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 -1.6299 -1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6150 -2.6629 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 2.1000 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 3.8320 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 -1.3867 -1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6926 -0.3460 -2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3327 0.8760 -1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8806 5.0978 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 2.9651 2.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9145 3.5554 1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 -0.5061 -3.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2314 1.1624 -3.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4939 3.0332 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 5.1464 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6366 4.9473 1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7927 3.9350 1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5462 3.9795 3.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 -3.0581 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7176 0.1516 1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4392 0.6064 1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3119 -4.4064 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6972 -1.1589 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 0.3566 -2.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3274 1.9913 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 -1.0605 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3453 0.4157 -1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7960 -3.8075 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2422 -2.1805 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0569 -2.8687 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7685 -3.2383 1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3303 -1.7869 -2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 5 17 1 0 0 0 0 5 55 1 0 0 0 0 6 26 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 16 23 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 22 25 2 0 0 0 0 22 51 1 0 0 0 0 23 27 2 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 33 2 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

4.2 InChl

InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+

4.3 InChlKey

LLLQTDSSHZREGW-AATRIKPKSA-N

4.4 Canonical SMILES

CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC

4.5 lsomeric SMILES

CN(C/C=C/C1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC

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