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AK-1

CAT: 0013-GTR19162574-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162574-02Size:500 mg
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Description
A potent, selective and brain-permeable SIRT2 inhibitor with IC50 of 12.5 uM; induces proteasomal degradation of the Snail transcription factor through inactivation of the NF-κB/CSN2 pathway; increases the ubiquitination of HIF-1α in a VHL-dependent manner, leading to the degradation of HIF-1α via a proteasomal pathway.
CAS Number
330461-64-8
Product Name Alternative
DA-42784 | KB-120200 | DA42784 | KB120200 | J018989 | DA 42784 | KB 120200 | J 018989
Field of Research
Signal Transduction
Purity
>98% (HPLC)
Solubility
DMSO
Smiles
O=C (NC1=CC=CC ([N+] ([O-]) =O) =C1) C2=CC=CC (S (=O) (N3CCCCCC3) =O) =C2
Molecular Formula
C19H21N3O5S
Molecular Weight
403.45214
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzamide, 3-[ (hexahydro-1H-azepin-1-yl) sulfonyl]-N- (3-nitrophenyl) -

Chemical Information

3-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)benzamide

AK-1 is an EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor.

CAS Number330461-64-8
PubChem CID1341463
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)benzamide
Molecular FormulaC19H21N3O5S
Molecular Weight403.5
XLogP2.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity649
SMILES
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O5S/c23-19(20-16-8-6-9-17(14-16)22(24)25)15-7-5-10-18(13-15)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,23)
InChIKey
HAYBKCHPEBZNGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)benzamide
CAS: 330461-64-8
CID: 1341463
Formula: C19H21N3O5S
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass403.12019195
Monoisotopic Mass403.12019195
Topological Polar Surface Area121 Ų
Heavy Atom Count28
Formal Charge0
Complexity649
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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