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AK-1 - 98%, high purity , CAS No.330461-64-8

COA

Grade & Purity:

≥98%

Cas Number: 330461-64-8
Molecular Weight: 403.45
PubChem CID: 1341463
PubChem SID: 504760467

In stock

Item Number

A275073

Grouped product items
SKU	Size	Availability	Price
A275073-10mg	10mg	3	$94.90
A275073-25mg	25mg	2	$200.90
A275073-50mg	50mg	2	$355.90
A275073-100mg	100mg	2	$640.90
A275073-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,441.90

Cell-permeable SIRT2 inhibitor

View related series

Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Epigenetics (1496) Histone Modification (1379) Sirtuin (94)

Basic Description

Synonyms	3-[(Hexahydro-1H-azepin-1-yl)sulfonyl]-N-(3-nitrophenyl)benzamide \| 3-[(Hexahydro-1H-azepin-1-yl)sulfonyl]-N-(3-nitrophenyl)-benzamide
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Cell-permeable SIRT2 inhibitor (IC 50 = 13 μM). Increases acetylated tubulin levels.AK-1 is a benzylsulfonamide. It acts as avia inhibiting of the nuclear factor-KB (NF-KB) /CSN2 (casein β) pathway. AK-1 is a cell permeable, potent and specific SIRT2 inhi
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	Benzenesulfonamides Benzamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Azepanes Organosulfonamides Sulfonyls Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzanilide - Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Azepane - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SIRT3 Tchem NAD-dependent deacetylase sirtuin 3 (1285 Activities)

Discover Target: SIRT3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504760467
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760467
IUPAC Name	3-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)benzamide
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
Smiles	C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
Isomeric SMILES	C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
Molecular Weight	403.45
Reaxy-Rn	15608236
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15608236&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
A2214361	Certificate of Analysis	Jul 12, 2023	A275073
A2214291	Certificate of Analysis	Oct 21, 2022	A275073
A2214290	Certificate of Analysis	Oct 21, 2022	A275073
A2214287	Certificate of Analysis	Oct 21, 2022	A275073
A2214292	Certificate of Analysis	Oct 21, 2022	A275073

Chemical and Physical Properties

Solubility	Soluble in DMSO to 100 mM
Molecular Weight	403.500 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	403.12 Da
Monoisotopic Mass	403.12 Da
Topological Polar Surface Area	121.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	649.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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