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AK-1

CAT: 0013-GTR19169581-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169581-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AK-1 is a SIRT2 inhibitor with an IC50 of 12.5 μM. It exhibits neuroprotective effects in Alzheimer's disease models by promoting tubulin acetylation and also induces cell cycle arrest in colon carcinoma cells in vitro.
CAS Number
330461-64-8
Product Name Alternative
Inhibit, Inhibitor, AK1, AK-1, AK 1, SIRT2, Sirtuin
Field of Research
Epigenetics & Chromatin, Molecular Biology, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:2 mg/mL (4.96 mM) ; DMSO:40 mg/mL (99.14 mM)
Smiles
[O-][N+] (=O) c1cccc (NC (=O) c2cccc (c2) S (=O) (=O) N2CCCCCC2) c1
Molecular Formula
C19H21N3O5S
Molecular Weight
403.45
Storage Conditions
-20°C
Notes
For research use only.

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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