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 ID: 1178
• Molecular Formular: C23H21N7O
• Molecular Mass: 411.45914
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 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 Traditional name: @tasosartan
• Synonyms: Tasosartan

Database IDs

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

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 3.8886113
• Log P: 4.17788
• Molar Refractivity: 130.6065 cm^3
• Polarizability: 45.776127 Å^3
• Polar Surface Area: 100.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 7.3994174
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 4.1717606

ALOGPS 2.1

• Log P: 3.07
• LOG S: -4.1
• Solubility (Water): 3.25e-02 g/l

DETAILS

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