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4-CMTB - 10mM in DMSO, high purity , CAS No.300851-67-6
FFA2 agonist; also exhibits positive allosteric modulatory activity
Basic Description
Synonyms
4-CMTB | 300851-67-6 | 2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide | 2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide | CHEMBL610463 | Enamine_000061 | Oprea1_875848 | MLS001018069 | GTPL5500 | SCHEMBL16369644 | cid_4307629 | CHEBI:113043 | HMS1394C17 | HMS264
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
4-CMTB is a phenylacetamide compound that acts as an allosteric modulator for the activity of short-chain fatty acid ligand in the FFA2 receptor.
4-CMTB is a potent allosteric agonist of free fatty acid receptor 2 (FFA2).
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.
Grade
Moligand™
Product Description
4-Chloro-α-(1-methylethyl)-N-2-thiazolyl-benzeneacetamide
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylacetamides
Intermediate Tree Nodes
Not available
Direct Parent
Phenylacetamides
Alternative Parents
Phenylpropanes N-arylamides Chlorobenzenes Fatty amides Aryl chlorides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylacetamide - Phenylpropane - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Fatty acyl - Fatty amide - Aryl chloride - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
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)
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-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
INCHI
InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)
InChIKey
AZYDQCGCBQYFSE-UHFFFAOYSA-N
Smiles
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2
Isomeric SMILES
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2
Alternate CAS
300851-67-6
Molecular Weight
294.8
Reaxy-Rn
20110673
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20110673&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
294.800 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
294.059 Da
Monoisotopic Mass
294.059 Da
Topological Polar Surface Area
70.200 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
306.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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