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31404-61-2 | 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CAS No: 31404-61-2 Catalog No: AG00D05I MDL No:
Product Description
Catalog Number:
AG00D05I
Chemical Name:
1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CAS Number:
31404-61-2
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
InChI:
InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
InChI Key:
UGLLZXSYRBMNOS-UHFFFAOYSA-N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Time-dependent inactivation of human phenylethanolamine N-methyltransferase by 7-isothiocyanatotetrahydroisoquinoline. | Bioorganic & medicinal chemistry letters 20090215 |
| Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase. | Bioorganic & medicinal chemistry 20080101 |
| Enzyme adaptation to inhibitor binding: a cryptic binding site in phenylethanolamine N-methyltransferase. | Journal of medicinal chemistry 20071004 |
| Cardiac epinephrine synthesis and ischemia-induced myocardial epinephrine release. | Cardiovascular research 20070601 |
| Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors. | Bioorganic & medicinal chemistry 20070201 |
| Comparison of the binding of 3-fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with their isosteric sulfonamides to the active site of phenylethanolamine N-methyltransferase. | Journal of medicinal chemistry 20060907 |
| Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis. | Biochemistry 20051227 |
| Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase. | Journal of medicinal chemistry 20051117 |
| Exploring the active site of phenylethanolamine N-methyltransferase with 3-hydroxyethyl- and 3-hydroxypropyl-7-substituted-1,2,3,4-tetrahydroisoquinolines. | Bioorganic & medicinal chemistry letters 20050215 |
| 3-hydroxymethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinoline inhibitors of phenylethanolamine N-methyltransferase that display remarkable potency and selectivity. | Journal of medicinal chemistry 20050113 |
| Phenylethanolamine N-methyltransferase inhibition: re-evaluation of kinetic data. | Bioorganic & medicinal chemistry letters 20040816 |
| Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase. | Journal of medicinal chemistry 20040101 |
| Getting the adrenaline going: crystal structure of the adrenaline-synthesizing enzyme PNMT. | Structure (London, England : 1993) 20011001 |
| Synthesis and evaluation of 4-fluoro-8-substituted-2,3,4,5-tetrahydro-1H-2-benzazapines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor. | Journal of medicinal chemistry 20010816 |
| Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme. | Bioorganic & medicinal chemistry letters 20010618 |
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