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CrBKA

CAT: 0931-T75107-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T75107-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2260810-48-6
Target
Others, Sirtuin
Related Pathways
Chromatin/Epigenetic, Others, DNA Damage/DNA Repair
Bioactivity
CrBKA, a fluorogenic small-molecule substrate of SIRT6, exhibits weak activity [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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