200,000+ products from a single source!
sales@angenechem.com
129695-80-3 | 5-Isoquinolinesulfonic acid, 4-[2-[(5-isoquinolinylsulfonyl)amino]-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester
CAS No: 129695-80-3 Catalog No: AG000TLR MDL No:
Product Description
Catalog Number:
AG000TLR
Chemical Name:
5-Isoquinolinesulfonic acid, 4-[2-[(5-isoquinolinylsulfonyl)amino]-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester
CAS Number:
129695-80-3
Molecular Formula:
C37H35N5O5S2
Molecular Weight:
693.8343
IUPAC Name:
[4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
InChI:
InChI=1S/C37H35N5O5S2/c43-48(44,36-10-4-6-29-25-38-18-16-34(29)36)40-31(27-41-20-22-42(23-21-41)32-8-2-1-3-9-32)24-28-12-14-33(15-13-28)47-49(45,46)37-11-5-7-30-26-39-19-17-35(30)37/h1-19,25-26,31,40H,20-24,27H2
InChI Key:
IWWLVIDLFHBQER-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccc2c1ccnc2)NC(Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)CN1CCN(CC1)c1ccccc1
Properties
Complexity:
1250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
693.208g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
693.837g/mol
Monoisotopic Mass:
693.208g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Literature
| Title | Journal |
|---|---|
| Rebound bursts in GABAergic neurons of the thalamic reticular nucleus in postnatal mice. | Physiological research 20100101 |
| A novel P2X7 receptor activator, the human cathelicidin-derived peptide LL37, induces IL-1 beta processing and release. | Journal of immunology (Baltimore, Md. : 1950) 20040415 |
| Characteristics of ATP-induced current through P2X7 receptor in NG108-15 cells: unique antagonist sensitivity and lack of pore formation. | Japanese journal of pharmacology 20020401 |
| The isoquinoline derivative KN-62 a potent antagonist of the P2Z-receptor of human lymphocytes. | British journal of pharmacology 19970401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.