CAS号:1616690-16-4-Desidustat - Desidustat-科华智慧

1. 主信息

英文名:	Desidustat
中文名:	Desidustat
CAS编号:	1616690-16-4
化学分子式：	C₁₆H₁₆N₂O₆
化学分子量：	332.31 g/mol
SMILES：	C1CC1CON2C3=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-(1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid desidustat Glycine, N-((1-(cyclopropylmethoxy)-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinyl)carbonyl)- N-(1-(Cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine ZYAN1 compound

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	20mg	HPLC≥98%	1600	-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 40 42 0 0 0 0 0 0 0999 V2000 2.6236 1.0024 -0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2214 2.2518 -0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9573 -1.7997 0.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 1.9741 0.8509 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9202 -0.5162 0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6642 0.7767 0.2093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4332 0.3102 -0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 0.5501 -0.7779 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 2.1810 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7287 1.4278 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 2.1916 1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 1.4426 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -1.0734 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 1.0492 -0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 -1.7792 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9468 0.2987 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -1.0213 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 -1.7429 -0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -3.1708 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2191 1.0387 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 -3.1210 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -3.8342 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5265 1.1077 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4857 0.4563 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2854 3.0906 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4097 1.8311 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 0.3464 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4259 1.6214 2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1219 3.1073 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 2.1217 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3721 0.5914 1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6732 -1.2185 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 -3.7623 0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 -3.6384 -0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -4.9103 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9871 -0.2359 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7425 -1.2352 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 2.1773 -0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8917 0.9501 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5637 -0.9239 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 20 2 0 0 0 0 5 24 1 0 0 0 0 5 40 1 0 0 0 0 6 24 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 36 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 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

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

4.2 InChl

InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20)

4.3 InChlKey

IKRKQQLJYBAPQT-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CC1CON2C3=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)

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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