2,4-dimethyl-8-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one

• ChemBase编号: 1178
• 分子式: C23H21N7O
• 平均质量: 411.45914
• 单一同位素质量: 411.18075833
• SMILES: O=C1N(c2nc(nc(c2CC1)C)C)Cc1ccc(cc1)c1c(cccc1)c1n[nH]nn1
• Canonical SMILES: Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2
• InChI: InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)
• InChIKey: ADXGNEYLLLSOAR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4-dimethyl-8-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one
• IUPAC传统名: @tasosartan
• 别名: Tasosartan

登记号

• CAS号: 145733-36-4
• PubChem SID: 46504809; 160964640
• PubChem CID: 60919

理论计算性质

JChem

• LogD (pH = 7.4): 3.8886113
• Log P: 4.17788
• 摩尔折射率: 130.6065 cm^3
• 极化性: 45.776127 Å^3
• 极化表面积: 100.55 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• Acid pKa: 7.3994174
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 4.1717606

ALOGPS 2.1

• Log P: 3.07
• LOG S: -4.1
• 溶解度: 3.25e-02 g/l

详细说明

DrugBank - DB01349

• Drug Groups: approved
• Description: Tasosartan is a long-acting angiotensin II (AngII) receptor blocker. Its long duration of action has been attributed to its active metabolite enoltasosartan. It is used to treat patients with essential hypertension
• Indication: Tasosartan is infrequently in the treatment of hypertension and heart failure.
• Pharmacology: By blocking the angiotensin II (AT1) receptor, the drug ultimately causes vasodilation, reduced secretion of vasopressin (ADH), reduced production and secretion of aldosterone, amongst other actions leading to the combined effect of a reduction of blood pressure.
• External Links: Wikipedia