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CC-885 - 10mM in DMSO, high purity , CAS No.1010100-07-8(DMSO)
Basic Description
Specifications & Purity
Moligand™, 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.
Grade
Moligand™
Product Description
Explanation CC-885 is a novel cereblon (CRBN) modulator. CC-885 selectively promotes CRBN- and p97-dependent PLK1 ubiquitination and degradation.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindolines
Intermediate Tree Nodes
Not available
Direct Parent
Isoindolones
Alternative Parents
Alpha amino acids and derivatives N-phenylureas Isoindoles Piperidinediones Chlorobenzenes Delta lactams Toluenes Aryl chlorides N-unsubstituted carboxylic acid imides Tertiary carboxylic acid amides Dicarboximides Ureas Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Isoindolone - N-phenylurea - Isoindole - Piperidinedione - Chlorobenzene - Delta-lactam - Toluene - Halobenzene - Piperidinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Carboxylic acid imide - Dicarboximide - Tertiary carboxylic acid amide - Carboxylic acid imide, n-unsubstituted - Urea - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organochloride - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
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
1-(3-chloro-4-methylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
INCHI
InChI=1S/C22H21ClN4O4/c1-12-2-4-15(9-17(12)23)25-22(31)24-10-13-3-5-16-14(8-13)11-27(21(16)30)18-6-7-19(28)26-20(18)29/h2-5,8-9,18H,6-7,10-11H2,1H3,(H2,24,25,31)(H,26,28,29)
InChIKey
DOEVCIHTTTYVCC-UHFFFAOYSA-N
Smiles
CC1=C(C=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)C(=O)N(C3)C4CCC(=O)NC4=O)Cl
Isomeric SMILES
CC1=C(C=C(C=C1)NC(=O)NCC2=CC3=C(C=C2)C(=O)N(C3)C4CCC(=O)NC4=O)Cl
Molecular Weight
440.88
Reaxy-Rn
13099237
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13099237&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO：88 mg/mL (199.60 mM)；Ethanol：Insoluble；Water：Insoluble
Molecular Weight
440.900 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
440.125 Da
Monoisotopic Mass
440.125 Da
Topological Polar Surface Area
108.000 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
747.000
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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