CAS号:29094-61-9-格列吡嗪 - Glipizide-科华智慧

1. 主信息

英文名:	Glipizide
中文名:	格列吡嗪
CAS编号:	29094-61-9
化学分子式：	C₂₁H₂₇N₅O₄S
化学分子量：	445.5 g/mol
SMILES：	CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
来源：	-
结构类型：	-
其它名称或标识：	Glidiazinamide Glipizide Glucotrol Glupitel Glydiazinamide

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	100mg	HPLC≥98%	320	点击购买	2-8℃	现货	-
科华智慧	1g	98%	40	点击购买	2-8℃	现货	-
科华智慧	5g	98%	128	点击购买	2-8℃	现货	-
科华智慧	25g	98%	480	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 58 60 0 0 0 0 0 0 0999 V2000 -4.0331 0.0044 -0.7568 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 -1.6511 -1.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0561 -0.1147 -2.2019 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2662 0.1754 -0.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 1.5851 2.1877 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -2.9908 0.0423 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1521 -1.3025 -0.0948 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 3.3603 0.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2639 1.8965 -0.8895 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -0.7117 -0.2267 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 -3.8089 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -5.2326 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -3.1687 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -5.2980 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 -3.2375 1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 -4.6652 2.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 -1.9701 -0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 1.3656 -0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3398 3.5155 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 2.0337 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 1.7724 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4576 4.6639 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 3.1085 1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1594 2.8473 -0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8052 4.2522 1.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 2.0805 1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 1.2933 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 0.0123 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -0.1086 -1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0751 1.1725 -1.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3607 -0.8789 -2.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -3.8665 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -5.8763 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5372 -5.6427 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7245 -3.6906 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9474 -2.1227 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 -6.3445 2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 -4.7930 2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 -2.8499 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -2.5932 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 -5.2713 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1787 -4.6682 3.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9318 -3.1369 0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4647 -1.6596 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 5.1998 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0198 5.3910 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 1.7291 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8232 1.2644 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 3.6184 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3809 3.1534 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 3.7960 2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 5.1429 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 3.7002 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 -0.4847 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 1.6643 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8942 -1.0055 -3.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5676 -1.8744 -1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3159 -0.3588 -2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 17 2 0 0 0 0 5 26 2 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 17 1 0 0 0 0 7 44 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 53 1 0 0 0 0 9 27 2 0 0 0 0 9 30 1 0 0 0 0 10 28 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 20 47 1 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-methylpyrazine-2-carboxamide

4.2 InChl

InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)

4.3 InChlKey

ZJJXGWJIGJFDTL-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 33 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4 4.19615 0 0
M  V30 2 C -4.5 3.33013 0 0
M  V30 3 C -4 2.4641 0 0
M  V30 4 N -4.5 1.59808 0 0
M  V30 5 C -5.5 1.59808 0 0
M  V30 6 C -6 2.4641 0 0
M  V30 7 N -5.5 3.33013 0 0
M  V30 8 C -6 0.732051 0 0
M  V30 9 O -7 0.732051 0 0
M  V30 10 N -5.5 -0.133975 0 0
M  V30 11 C -4.5 -0.133975 0 0
M  V30 12 C -4 -1 0 0
M  V30 13 C -3 -1 0 0
M  V30 14 C -2.5 -0.133975 0 0
M  V30 15 C -1.5 -0.133975 0 0
M  V30 16 C -1 -1 0 0
M  V30 17 C -1.5 -1.86603 0 0
M  V30 18 C -2.5 -1.86603 0 0
M  V30 19 S 0 -1 0 0
M  V30 20 O 1.55431e-15 -2 0 0
M  V30 21 O 1 -1 0 0
M  V30 22 N 0 -0 0 0
M  V30 23 C 0.866025 0.5 0 0
M  V30 24 O 1.73205 -1.11022e-15 0 0
M  V30 25 N 0.866025 1.5 0 0
M  V30 26 C 1.73205 2 0 0
M  V30 27 C 1.73205 3 0 0
M  V30 28 C 2.59808 3.5 0 0
M  V30 29 C 3.4641 3 0 0
M  V30 30 C 3.4641 2 0 0
M  V30 31 C 2.59808 1.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 2 2 3
M  V30 4 1 3 4
M  V30 5 2 4 5
M  V30 6 1 5 6
M  V30 7 1 5 8
M  V30 8 2 6 7
M  V30 9 2 8 9
M  V30 10 1 8 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 18
M  V30 15 2 13 14
M  V30 16 1 14 15
M  V30 17 2 15 16
M  V30 18 1 16 17
M  V30 19 1 16 19
M  V30 20 2 17 18
M  V30 21 2 19 20
M  V30 22 2 19 21
M  V30 23 1 19 22
M  V30 24 1 22 23
M  V30 25 2 23 24
M  V30 26 1 23 25
M  V30 27 1 25 26
M  V30 28 1 26 31
M  V30 29 1 26 27
M  V30 30 1 27 28
M  V30 31 1 28 29
M  V30 32 1 29 30
M  V30 33 1 30 31
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

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

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型