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EBE-A22 - 10mM in DMSO, high purity , CAS No.229476-53-3
Basic Description
Synonyms
EBE-A22 | 229476-53-3 | N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine | CHEMBL447230 | 4-Quinazolinamine, N-(3-bromophenyl)-6,7-dimethoxy-N-methyl- | BDBM3563 | DTXSID60416148 | BCP20742 | s6530 | AKOS030526739 | CS-1603 | EBE-A 22;EBE A22; EBEA22 | HY-14347 | MS-2603
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Description:
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines - Tertiary alkylarylamines
Direct Parent
Alkyldiarylamines
Alternative Parents
Quinazolinamines Anisoles Aniline and substituted anilines Bromobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyldiarylamine - Quinazolinamine - Quinazoline - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Ether - Azacycle - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
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.
Associated Targets(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-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine
INCHI
InChI=1S/C17H16BrN3O2/c1-21(12-6-4-5-11(18)7-12)17-13-8-15(22-2)16(23-3)9-14(13)19-10-20-17/h4-10H,1-3H3
InChIKey
IPWGDOZPSOZFOD-UHFFFAOYSA-N
Smiles
CN(C1=CC(=CC=C1)Br)C2=NC=NC3=CC(=C(C=C32)OC)OC
Isomeric SMILES
CN(C1=CC(=CC=C1)Br)C2=NC=NC3=CC(=C(C=C32)OC)OC
Molecular Weight
374.23
Reaxy-Rn
7440433
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7440433&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
374.200 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
373.043 Da
Monoisotopic Mass
373.043 Da
Topological Polar Surface Area
47.500 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
387.000
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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