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Brr2-IN-3

CAT: 0013-GTR19172827-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172827-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Brr2-IN-3 (C9) is an allosteric inhibitor of the spliceosomal RNA helicase Brr2. This compound serves as a research tool for investigating Brr2's role in pre-mRNA splicing and its implication in autosomal-dominant retinitis pigmentosa, enabling mechanistic studies in vitro.
CAS Number
2104030-82-0
Product Name Alternative
Inhibit, Inhibitor, helicase, allosteric, Brr2 IN 3, Brr2 Inhibitor 9, Brr2 Inhibitor C9, Brr2IN3, Brr-2-IN-3, Brr2-IN-3, dose-dependent, potent, selective, spliceosomal RNA helicase Brr2, targeting
Field of Research
Cell Biology, Molecular Biology
Purity
99.12% (May vary between batches)
Solubility
DMSO:27.5 mg/mL (61.87 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.5 mM)
Smiles
O=C1Nc2cc (=O) n (Cc3ccccc3) cc2CN1c1cccc (OCc2cncs2) c1
Molecular Formula
C24H20N4O3S
Molecular Weight
444.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Benzyl-3-(3-(thiazol-5-ylmethoxy)phenyl)-3,4-dihydropyrido[4,3-d]pyrimidine-2,7(1H,6H)-dione
CAS Number2104030-82-0
PubChem CID132585219
IUPAC Name6-benzyl-3-[3-(1,3-thiazol-5-ylmethoxy)phenyl]-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione
Molecular FormulaC24H20N4O3S
Molecular Weight444.5
XLogP2
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity779
SMILES
C1C2=CN(C(=O)C=C2NC(=O)N1C3=CC(=CC=C3)OCC4=CN=CS4)CC5=CC=CC=C5
InChI
InChI=1S/C24H20N4O3S/c29-23-10-22-18(13-27(23)12-17-5-2-1-3-6-17)14-28(24(30)26-22)19-7-4-8-20(9-19)31-15-21-11-25-16-32-21/h1-11,13,16H,12,14-15H2,(H,26,30)
InChIKey
GAWVULNDIBAUHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Benzyl-3-(3-(thiazol-5-ylmethoxy)phenyl)-3,4-dihydropyrido[4,3-d]pyrimidine-2,7(1H,6H)-dione
CAS: 2104030-82-0
CID: 132585219
Formula: C24H20N4O3S
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass444.12561169
Monoisotopic Mass444.12561169
Topological Polar Surface Area103 Ų
Heavy Atom Count32
Formal Charge0
Complexity779
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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