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KAT6A-IN-2

CAT: 0013-GTR19239608-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239608-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KAT6A-IN-2 is a selective small molecule inhibitor of the lysine acetyltransferase KAT6A. This compound is a valuable research tool for investigating the role of KAT6A in epigenetic regulation, cancer biology, and aging, with utility in both in vitro and in vivo experimental models.
CAS Number
2991087-74-0
Field of Research
Epigenetics & Chromatin
Smiles
O=C (C=C) NCC1=NN (C=C1) CC=2C=C3ON=C (NS (=O) (=O) CC4CCCCC4) C3=C (OC) C2
Molecular Formula
C23H29N5O5S
Molecular Weight
487.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-((1-((3-((Cyclohexylmethyl)sulfonamido)-4-methoxybenzo[d]isoxazol-6-yl)methyl)-1H-pyrazol-3-yl)methyl)acrylamide
CAS Number2991087-74-0
PubChem CID169079102
IUPAC NameN-[[1-[[3-(cyclohexylmethylsulfonylamino)-4-methoxy-1,2-benzoxazol-6-yl]methyl]pyrazol-3-yl]methyl]prop-2-enamide
Molecular FormulaC23H29N5O5S
Molecular Weight487.6
XLogP3
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity800
SMILES
COC1=CC(=CC2=C1C(=NO2)NS(=O)(=O)CC3CCCCC3)CN4C=CC(=N4)CNC(=O)C=C
InChI
InChI=1S/C23H29N5O5S/c1-3-21(29)24-13-18-9-10-28(25-18)14-17-11-19(32-2)22-20(12-17)33-26-23(22)27-34(30,31)15-16-7-5-4-6-8-16/h3,9-12,16H,1,4-8,13-15H2,2H3,(H,24,29)(H,26,27)
InChIKey
XLIGEABDORICOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((1-((3-((Cyclohexylmethyl)sulfonamido)-4-methoxybenzo[d]isoxazol-6-yl)methyl)-1H-pyrazol-3-yl)methyl)acrylamide
CAS: 2991087-74-0
CID: 169079102
Formula: C23H29N5O5S
MW: 487.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.6
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass487.18894022
Monoisotopic Mass487.18894022
Topological Polar Surface Area137 Ų
Heavy Atom Count34
Formal Charge0
Complexity800
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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