CAS号:2003234-63-5-CS-2624 - (R)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(4-morpholinophenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one-科华智慧

1. 主信息

英文名:	(R)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(4-morpholinophenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
中文名:	CS-2624
CAS编号:	2003234-63-5
化学分子式：	C₂₅H₂₃ClN₂O₃S₂
化学分子量：	499.0 g/mol
SMILES：	C1COCCN1C2=CC=C(C=C2)C3(CC(=C(C(=O)N3)SC4=CC=CC=C4Cl)O)C5=CSC=C5
来源：	合成化合物
结构类型：	-
其它名称或标识：	GNE-140

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	2mg	98%	448	-20°C	现货	-
科华智慧	5mg	98%	768	-20°C	现货	-
科华智慧	10mg	98%	1280	-20°C	现货	-
科华智慧	25mg	98%	2176	-20°C	现货	-
科华智慧	50mg	98%	3520	-20°C	现货	-
科华智慧	100mg	98%	5760	-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 56 60 0 1 0 0 0 0 0999 V2000 0.1726 3.6244 2.4787 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6955 -4.0846 -0.1988 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5462 3.7593 -0.5122 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0431 -2.0314 0.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 1.7536 -2.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 2.3636 1.7898 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 0.2458 0.9192 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2436 -1.7874 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 -0.7268 -0.1319 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7792 -0.0440 -1.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8713 -1.0135 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 -2.0551 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2469 1.3597 -1.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 -1.9106 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 -0.3742 0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8695 -1.5288 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6362 1.6172 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1484 2.1402 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0364 -1.4873 -1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9733 -1.6963 1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -2.1683 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3058 -0.6318 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -2.8414 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 -2.6158 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3389 -2.2787 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2799 -2.4758 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7978 -3.9734 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 3.4168 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 3.3630 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 3.1976 -1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1077 3.0897 1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 2.9242 -1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9012 2.8703 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -0.6450 -2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 0.0262 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -0.1234 1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9173 -2.4224 -1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4524 0.3126 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2553 -0.4122 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4996 -1.7298 -2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3835 -2.1053 2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1963 -0.6433 1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4812 -2.8807 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -0.1135 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 -2.5972 2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 -2.2578 -1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9832 -1.9711 -1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1552 -3.3551 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0961 -3.5535 1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8801 -2.3153 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8865 -4.7401 2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 1.0461 -3.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 3.2384 -2.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 3.0417 2.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9525 2.7523 -2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9594 2.6547 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 3 18 1 0 0 0 0 3 28 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 13 1 0 0 0 0 5 52 1 0 0 0 0 6 17 2 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 36 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 23 1 0 0 0 0 12 24 2 0 0 0 0 13 18 2 0 0 0 0 14 21 1 0 0 0 0 14 37 1 0 0 0 0 15 22 2 0 0 0 0 15 38 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 19 25 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 26 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R)-5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-(4-morpholin-4-ylphenyl)-2-thiophen-3-yl-1,3-dihydropyridin-6-one

4.2 InChl

InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1

4.3 InChlKey

SUFXXEIVBZJOAP-RUZDIDTESA-N

4.4 Canonical SMILES

C1COCCN1C2=CC=C(C=C2)C3(CC(=C(C(=O)N3)SC4=CC=CC=C4Cl)O)C5=CSC=C5

4.5 lsomeric SMILES

C1COCCN1C2=CC=C(C=C2)[C@]3(CC(=C(C(=O)N3)SC4=CC=CC=C4Cl)O)C5=CSC=C5

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