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AZD3264 - 10mM in DMSO, high purity , CAS No.1609281-86-8
IKK Selective Inhibitors | Modulators
Basic Description
Synonyms
AZD3264 | 1609281-86-8 | AZD-3264 | 2TT3S8GPB7 | AZD 3264 [WHO-DD] | 3-Thiophenecarboxamide, 2-((aminocarbonyl)amino)-5-(4-(3,5-dimethyl-4-isoxazolyl)-2-((3S)-3-pyrrolidinyloxy)phenyl)- | (S)-5-(4-(3,5-dimethylisoxazol-4-yl)-2-(pyrrolidin-3-yloxy)phenyl)-2-ureidothio
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
AZD3264 is a novel IKK2 inhibitor.
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
Information
AZD3264 is a novelIKK2inhibitor.
Targets
IKK2
In vitro
AZD3264, by inhibiting IKK2, prevents inflammatory conditions such as asthma, chronic pulmonary obstructive disorder (COPD) and rheumatoid arthritis.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxamides
Alternative Parents
Phenoxy compounds Phenol ethers 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Vinylogous amides Pyrrolidines Isoxazoles Heteroaromatic compounds Ureas Primary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - 2,3,5-trisubstituted thiophene - Thiophene carboxamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Vinylogous amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Urea - Primary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
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
ALogP
1.235
HBD Count
4
Rotatable Bond
6
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
2-(carbamoylamino)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]oxyphenyl]thiophene-3-carboxamide
INCHI
InChI=1S/C21H23N5O4S/c1-10-18(11(2)30-26-10)12-3-4-14(16(7-12)29-13-5-6-24-9-13)17-8-15(19(22)27)20(31-17)25-21(23)28/h3-4,7-8,13,24H,5-6,9H2,1-2H3,(H2,22,27)(H3,23,25,28)/t13-/m0/s1
InChIKey
NMFIXEFNQPDISY-ZDUSSCGKSA-N
Smiles
CC1=C(C(=NO1)C)C2=CC(=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)OC4CCNC4
Isomeric SMILES
CC1=C(C(=NO1)C)C2=CC(=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)O[C@H]4CCNC4
PubChem CID
91666658
Molecular Weight
441.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
88
DMSO(mM) Max Solubility
199.3204983
Water(mg / mL) Max Solubility
＜1
Molecular Weight
441.500 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Exact Mass
441.147 Da
Monoisotopic Mass
441.147 Da
Topological Polar Surface Area
174.000 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
670.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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