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247257-48-3 | 5-Pyrimidineethanethioamide, 2-butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS No: 247257-48-3 Catalog No: AG002P8I MDL No:MFCD24369685
Product Description
Catalog Number:
AG002P8I
Chemical Name:
5-Pyrimidineethanethioamide, 2-butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
247257-48-3
Molecular Formula:
C27H31N7OS
Molecular Weight:
501.6463
MDL Number:
MFCD24369685
IUPAC Name:
2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylethanethioamide
InChI:
InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)
InChI Key:
AMEROGPZOLAFBN-UHFFFAOYSA-N
SMILES:
CCCCc1nc(C)c(c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CC(=S)N(C)C
UNII:
P58222188P
Properties
Complexity:
849
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.231g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
501.653g/mol
Monoisotopic Mass:
501.231g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Role of cytochrome P450 enzymes in fimasartan metabolism in vitro. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20180501 |
| The effect of fimasartan, an angiotensin receptor type 1 blocker, on the pharmacokinetics and pharmacodynamics of warfarin in healthy Korean male volunteers: a one-sequence, two-period crossover clinical trial. | Clinical therapeutics 20120701 |
| Fimasartan, a novel angiotensin II receptor antagonist. | Archives of pharmacal research 20120701 |
| Efficacy and tolerability of fimasartan, a new angiotensin receptor blocker, compared with losartan (50/100 mg): a 12-week, phase III, multicenter, prospective, randomized, double-blind, parallel-group, dose escalation clinical trial with an optional 12-week extension phase in adult Korean patients with mild-to-moderate hypertension. | Clinical therapeutics 20120301 |
| Synthesis and antihypertensive activity of pyrimidin-4(3H)-one derivatives as losartan analogue for new angiotensin II receptor type 1 (AT1) antagonists. | Bioorganic & medicinal chemistry letters 20120215 |
| Assessment of the drug-drug interactions between fimasartan and hydrochlorothiazide in healthy volunteers. | Journal of cardiovascular pharmacology 20120101 |
| The effect of the newly developed angiotensin receptor II antagonist fimasartan on the pharmacokinetics of atorvastatin in relation to OATP1B1 in healthy male volunteers. | Journal of cardiovascular pharmacology 20111101 |
| Effect of age on the pharmacokinetics of fimasartan (BR-A-657). | Expert opinion on drug metabolism & toxicology 20111101 |
| Safety, tolerability, pharmacokinetics, and pharmacodynamics of fimasartan following single and repeated oral administration in the fasted and fed states in healthy subjects. | American journal of cardiovascular drugs : drugs, devices, and other interventions 20111001 |
| Fimasartan. | American journal of cardiovascular drugs : drugs, devices, and other interventions 20110801 |
| Pharmacokinetic interaction of fimasartan, a new angiotensin II receptor antagonist, with amlodipine in healthy volunteers. | Journal of cardiovascular pharmacology 20110601 |
| Effect of multiple doses of fimasartan, an angiotensin II receptor antagonist, on the steady-state pharmacokinetics of digoxin in healthy volunteers. | International journal of clinical pharmacology and therapeutics 20110501 |
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