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BRL 50481

CAT: 1410-M19908-01Size: 1 EachDry Ice: NoHazardous: No
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Description
BRL-50481 is a novel and selective inhibitor of PDE7 with IC50s of 0.15 12.1 62 and 490 μM for PDE7A PDE7B PDE4 and PDE3 respectively.
CAS Number
433695-36-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
244.27
Molecular Formula
C9H12N2O4S
Notes
Research use only, not for human use.
Receptor
PDE7

Chemical Information

N,N,2-trimethyl-5-nitrobenzenesulfonamide

BRL-50481 is a C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM). It has a role as a geroprotector, a bone density conservation agent and an EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor. It is a member of toluenes, a sulfonamide and a C-nitro compound.

CAS Number433695-36-4
PubChem CID2921148
IUPAC NameN,N,2-trimethyl-5-nitrobenzenesulfonamide
Molecular FormulaC9H12N2O4S
Molecular Weight244.27
XLogP1.3
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity355
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)C
InChI
InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
InChIKey
IFIUFCJFLGCQPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N,2-trimethyl-5-nitrobenzenesulfonamide
CAS: 433695-36-4
CID: 2921148
Formula: C9H12N2O4S
MW: 244.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.27
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass244.05177804
Monoisotopic Mass244.05177804
Topological Polar Surface Area91.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FB19012-01BRL 50481
MBS565520-01BRL-50481

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