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AK-1

CAT: 1410-M14095-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M14095-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective and brain-permeable SIRT2 inhibitor with IC50 of 12.5 uM.
CAS Number
330461-64-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
403.45214
Molecular Formula
C19H21N3O5S
Notes
Research use only, not for human use.
Receptor
Sirtuin

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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Alternative Products

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HY-148327-01AK-IN-1
MBS5758238AK-1
HY-101465RAK-1 (Standard)
A14370-5AK-1 5mg
A14370-200AK-1 200mg
A14370-25AK-1 25mg
A14370-100AK-1 100mg
A14370-50AK-1 50mg
A14370-10AK-1 10mg
554773-01AK

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