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BML-210 - 10mM in DMSO, high purity , CAS No.537034-17-6
Basic Description
Synonyms
BML-210 | 537034-17-6 | N1-(2-aminophenyl)-N8-phenyloctanediamide | BML-210(CAY10433) | BML 210 | N-(2-aminophenyl)-N'-phenyl-octanediamide | CHEBI:61077 | CAY10433 | Octanediamide, N-(2-aminophenyl)-N'-phenyl- | N'-(2-aminophenyl)-N-phenyloctanediamide | CHEMBL324053 | N-(2-a
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Histone deacetylase (HDAC) inhibitor (IC 50 = 87 μM). Induces changes in gene expression profile. Antiproliferative activity in vitro .
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
BML-210 is a novel HDAC inhibitor, IC50 value: 5 μM。
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 Organopnictogen compounds 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 - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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
dicarboxylic acid diamide
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.
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-phenyloctanediamide
INCHI
InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
InChIKey
RFLHBLWLFUFFDZ-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NC2=CC=CC=C2N
Isomeric SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NC2=CC=CC=C2N
Molecular Weight
339.43
Reaxy-Rn
9430672
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9430672&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
339.400 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
9
Exact Mass
339.195 Da
Monoisotopic Mass
339.195 Da
Topological Polar Surface Area
84.200 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
408.000
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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