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CrBKA

CAT: 0013-GTR19220616-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220616-02Size:50 mg
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Description
CrBKA is a fluorogenic small-molecule substrate for the deacetylase SIRT6, exhibiting low initial activity. It serves as a key research tool for studying SIRT6 enzyme kinetics and function in both in vitro biochemical assays and cellular research models.
CAS Number
2260810-48-6
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
CC=1C=2C (=CC (NC ([C@@H] (NC (OCC3=CC=CC=C3) =O) CCCCNC (C=CC) =O) =O) =CC2) OC (=O) C1
Molecular Formula
C28H31N3O6
Molecular Weight
505.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CrBKA
CAS Number2260810-48-6
PubChem CID168265659
IUPAC Namebenzyl N-[(2S)-6-[[(E)-but-2-enoyl]amino]-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]carbamate
Molecular FormulaC28H31N3O6
Molecular Weight505.6
XLogP3.5
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity864
SMILES
C/C=C/C(=O)NCCCC[C@@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C28H31N3O6/c1-3-9-25(32)29-15-8-7-12-23(31-28(35)36-18-20-10-5-4-6-11-20)27(34)30-21-13-14-22-19(2)16-26(33)37-24(22)17-21/h3-6,9-11,13-14,16-17,23H,7-8,12,15,18H2,1-2H3,(H,29,32)(H,30,34)(H,31,35)/b9-3+/t23-/m0/s1
InChIKey
MZNAVDKTIVTYMY-BSQRELMASA-N
Chemical Structure
2D Structure
2D structure of CrBKA
CAS: 2260810-48-6
CID: 168265659
Formula: C28H31N3O6
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass505.22128572
Monoisotopic Mass505.22128572
Topological Polar Surface Area123 Ų
Heavy Atom Count37
Formal Charge0
Complexity864
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5817030CrBKA

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