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N-(2-Aminophenyl)-N′-phenylheptanediamide - 10mM in DMSO, high purity , CAS No.537034-15-4
Basic Description
Synonyms
537034-15-4 | NKL 22 | N1-(2-Aminophenyl)-N7-phenylheptanediamide | N-(2-AMINOPHENYL)-N'-PHENYLHEPTANEDIAMIDE | Histone Deacetylase Inhibitor IV | HDAC inhibitor IV | PAOA | CHEMBL277805 | VC-4154 (HDAC inhibitor IV) | N'-(2-AMINOPHENYL)-N-PHENYLHEPTANEDIAMIDE | NKL-22 | Probe
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
N-(2-Aminophenyl)-N'-phenylheptanediamide is a cell-permeable pimeloylanilide compound that acts as a FXN (frataxin gene) specific HDAC inhibitor. N-(2-Aminophenyl)-N'-phenylheptanediamide reverses the silencing of FXN transcription in FRDA (Friedreich's ataxia) cells due to hypoacetylation of histone.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Not available
Direct Parent
2'-Aminoanilides
Alternative Parents
N-arylamides Aniline and substituted anilines Fatty amides Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2'-aminoanilide - N-arylamide - Aniline or substituted anilines - Fatty amide - Fatty acyl - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2'-aminoanilides. These are organic compounds containing an anilide moieties that carries an amino group at the 2-position of the benzene ring.
External Descriptors
Not available
Data sources
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.
Product Properties
pKa
pKₐ: 4.04 (Predicted)
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N'-(2-aminophenyl)-N-phenylheptanediamide
INCHI
InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)
InChIKey
ZAIULUYKQLVQFH-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N
Isomeric SMILES
C1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N
Molecular Weight
325.4
Reaxy-Rn
9424961
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9424961&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20D1.64 (Predicted)
Boil Point(°C)
627.86° C at 760 mmHg (Predicted)
Melt Point(°C)
159-161° C (lit.)
Molecular Weight
325.400 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
8
Exact Mass
325.179 Da
Monoisotopic Mass
325.179 Da
Topological Polar Surface Area
84.200 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
394.000
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
Citations of This Product
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1 Citations