醋酸依替巴肽结构式
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常用名 | 醋酸依替巴肽 | 英文名 | Eptifibatide Acetate |
|---|---|---|---|---|
| CAS号 | 148031-34-9 | 分子量 | 831.962 | |
| 密度 | 1.6±0.1 g/cm3 | 沸点 | N/A | |
| 分子式 | C35H49N11O9S2 | 熔点 | 92-98 °C | |
| MSDS | 中文版 | 闪点 | N/A |
醋酸依替巴肽用途Eptifibatide, also co-promoted by Schering-Plough/Essex, is an antiplatelet drug of the glycoprotein IIb/IIIa inhibitor class. Eptifibatide is a cyclic heptapeptide derived from a protein found in the venom of the southeastern pygmy rattlesnake (Sistrurus miliarius barbouri). It belongs to the class of the arginin-glycin-aspartat-mimetics and reversibly binds to platelets. Eptifibatide has a short half-life. The drug is the third inhibitor of GPIIb/IIIa that has found broad acceptance after the specific antibody abciximab and the non-peptide tirofiban entered the global market. |
| 中文名 | 埃替非巴肽 |
|---|---|
| 英文名 | Eptifibatide |
| 中文别名 | 安普利肽 | 醋酸安普利肽 | 依非巴特醋酸盐 | 醋酸依非巴特 | 醋酸依替巴肽 |
| 英文别名 | 更多 |
| 密度 | 1.6±0.1 g/cm3 |
|---|---|
| 熔点 | 92-98 °C |
| 分子式 | C35H49N11O9S2 |
| 分子量 | 831.962 |
| 精确质量 | 831.315613 |
| PSA | 374.49000 |
| LogP | -4.84 |
| InChIKey | CZKPOZZJODAYPZ-UHFFFAOYSA-N |
| SMILES | NC(=O)C1CSSCCC(=O)NC(CCCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N2CCCC2C(=O)N1 |
| 外观性状 | 白色粉末 |
| 折射率 | 1.735 |
| 储存条件 | 2-8°C |
| 分子结构 | 1、摩尔折射率:208.03 2、摩尔体积(cm3/mol):518.4 3、等张比容(90.2K):1530.5 4、表面张力(dyne/cm):75.9 5、介电常数:无可用的 6、极化率(10-24cm3):82.47 7、单一同位素质量:831.315612 Da 8、标称质量:831 Da 9、平均质量:831.9619 Da |
| 计算化学 | 1.疏水参数计算参考值(XlogP):-2.4 2.氢键供体数量:10 3.氢键受体数量:12 4.可旋转化学键数量:10 5.互变异构体数量:1000 6.拓扑分子极性表面积377 7.重原子数量:57 8.表面电荷:0 9.复杂度:1520 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:5 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 危害码 (欧洲) | Xi,Xn |
|---|---|
| 风险声明 (欧洲) | R36/37/38:Irritating to eyes, respiratory system and skin . R22:Harmful if swallowed. |
| 安全声明 (欧洲) | S26-S36/37/39 |
| 危险品运输编码 | UN 2811 6.1/PG 3 |
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:ULK1_INH_LUMI_1536_1X%INH PRUN
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实验名称:uHTS identification of small molecule modulators of Rev-erb Alpha.
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:SBCCG-A1016-RevErbaLBD-Primary-Assay
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实验名称:A screen for small molecules that modulate mitochondrial supercomplex formation
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1482
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实验名称:HTS to identify compounds that affect the blood-brain barrier permeability in vitro
来源:26908
靶标:N/A
External Id:HTS97080
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实验名称:Stabilization of p53 in human papillomavirus-positive cells
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Cellular tumor antigen p53
External Id:HMS1485
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| n6-(aminoiminomethyl)-n2-(3-mercapto-1-oxopropyl-l-lysylglycyl-l-a-aspartyl-l-tryptophyl-l-prolyl-l-cysteinamide |
| Mpr-Harg-Gly-Asp-Trp-Pro-Cys-NH2,( Disulfide Bridge:1-7) |
| EFTIFIBATIDE |
| MAP-LYS-GLY-ASP-TRP-PRO-CYS-NH2 |
| MFCD05662245 |
| [11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid |
| Mpr-Harg-Gly-Asp-Trp-Pro-Cys-NH2,( Disulfide Bridg on Mpr and Cys) |
| Eptifitide |
| INTEGRELIN |
| Eptifibatide Acetate |