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956014-19-0 | Thiourea, N'-[3,5-bis(trifluoromethyl)phenyl]-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-
CAS No: 956014-19-0 Catalog No: AG003621 MDL No:MFCD25563257
Product Description
Catalog Number:
AG003621
Chemical Name:
Thiourea, N'-[3,5-bis(trifluoromethyl)phenyl]-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-
CAS Number:
956014-19-0
Molecular Formula:
C16H9BrF6N6S
Molecular Weight:
511.2423
MDL Number:
MFCD25563257
IUPAC Name:
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]thiourea
InChI:
InChI=1S/C16H9BrF6N6S/c17-9-1-2-12(11(6-9)13-26-28-29-27-13)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)
InChI Key:
MDKAFDIKYQMOMF-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.97g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
511.244g/mol
Monoisotopic Mass:
509.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Localization of large conductance calcium-activated potassium channels and their effect on calcitonin gene-related peptide release in the rat trigemino-neuronal pathway. | Neuroscience 20100602 |
| Synthesis and characterisation of NS13558: a new important tool for addressing KCa1.1 channel function ex vivo. | Naunyn-Schmiedeberg's archives of pharmacology 20100301 |
| BK channel activation by NS11021 decreases excitability and contractility of urinary bladder smooth muscle. | American journal of physiology. Regulatory, integrative and comparative physiology 20100201 |
| NS11021, a novel opener of large-conductance Ca(2+)-activated K(+) channels, enhances erectile responses in rats. | British journal of pharmacology 20091101 |
| Activation of big conductance Ca(2+)-activated K (+) channels (BK) protects the heart against ischemia-reperfusion injury. | Pflugers Archiv : European journal of physiology 20090301 |
| The small molecule NS11021 is a potent and specific activator of Ca2+-activated big-conductance K+ channels. | Molecular pharmacology 20071001 |
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