CAS号:931398-72-0-IOX2 - 2-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid-科华智慧

1. 主信息

英文名:	2-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid
中文名:	IOX2
CAS编号:	931398-72-0
化学分子式：	C₁₉H₁₆N₂O₅
化学分子量：	352.3 g/mol
SMILES：	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

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%	204	-20℃	现货	-
科华智慧	5mg	98%	320	-20℃	现货	-
科华智慧	10mg	98%	512	-20℃	现货	-
科华智慧	25mg	98%	1088	-20℃	现货	-
科华智慧	50mg	98%	2048	-20℃	现货	-
科华智慧	100mg	98%	2944	-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 42 44 0 0 0 0 0 0 0999 V2000 -2.2953 -1.9027 -0.4489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 1.8295 1.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 1.1214 1.7378 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2413 -0.5572 -0.5328 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7222 1.1236 -0.8927 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -0.0076 1.0232 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1238 0.9721 -0.5865 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 -1.3173 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3835 0.6132 1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0624 -1.9207 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0399 0.6985 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 0.0364 0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2197 -1.1993 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.1389 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 -2.0196 0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 -3.2121 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -3.2981 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.7675 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 -3.8950 -0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 0.6589 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 2.1074 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3491 1.1476 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 2.5962 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8513 2.1163 -1.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3793 1.6633 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5688 0.7388 -0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 1.4596 2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -0.0891 2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3808 -1.6403 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 -3.7123 -0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 -3.8292 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 -4.8911 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 -0.0756 0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 2.5008 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 0.6309 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 -1.3696 -0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3634 0.7785 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 3.3519 -2.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4764 2.4981 -2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3383 2.1466 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4991 2.4128 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0316 -1.1379 -0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 36 1 0 0 0 0 2 11 2 0 0 0 0 3 18 2 0 0 0 0 4 26 1 0 0 0 0 4 42 1 0 0 0 0 5 26 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 18 1 0 0 0 0 7 25 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 15 2 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid

4.2 InChl

InChI=1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)

4.3 InChlKey

CAOSCCRYLYQBES-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O

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