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GRADE & PURITY 10mM in DMSO
Synonyms
AKOS000520720 | HMS2815M08 | AC-36515 | D80691 | EX-A4083 | 3-(n-(3,4-dichlorophenyl)carbamoyl)-5-norbornene-2-carboxylic acid | CADD522 | 3-([(3,4-Dichlorophenyl)amino]carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylicacid | SCHEMBL1514775 | 3-{[(3,4-Dichlor
Shipped In
Dry ice packs + Cold packs
Overview Information
CADD522 CADD522 is a potent inhibitor of RUNX2(runt-related transcription factor-2)-DNA binding with IC50 of 10 nM. CADD522 exhibits anticancer activity.
Targets
RUNX2-DNA (Cell-free assay) 10 nM
Specifications Synonyms
AKOS000520720 | HMS2815M08 | AC-36515 | D80691 | EX-A4083 | 3-(n-(3, 4-dichlorophenyl)carbamoyl)-5-norbornene-2-carboxylic acid | CADD522 | 3-([(3, 4-Dichlorophenyl)amino]carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylicacid | SCHEMBL1514775 | 3-{[(3, 4-Dichlor
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
CADD522 is a potent inhibitor of RUNX2(runt-related transcription factor-2)-DNA binding with IC50 of 10 nM. CADD522 exhibits anticancer activity.
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 2.821 hba_count 2 HBD Count 1 Rotatable Bond 3
Names and Identifiers Canonical Smiles C1C2C=CC1C(C2C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O IUPAC Name 3-[(3,4-dichlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid InChIKey YSDNWNOGHQYWPK-UHFFFAOYSA-N INCHI 1S/C15H13Cl2NO3/c16-10-4-3-9(6-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(20)21/h1-4,6-8,12-13H,5H2,(H,18,19)(H,20,21) Isomeric SMILES C1C2C=CC1C(C2C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O Molecular Weight 326.17 Reaxy-Rn 14164865 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14164865&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Anilides Intermediate Tree Nodes Not available Direct Parent Anilides Alternative Parents N-arylamides Dichlorobenzenes Aryl chlorides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homopolycyclic compounds Substituents Anilide - 1,2-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties DMSO(mg / mL) Max Solubility 65 DMSO(mM) Max Solubility 199.282582702272 Water(mg / mL) Max Solubility ＜1 Molecular Weight 326.200 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 325.027 Da Monoisotopic Mass 325.027 Da Topological Polar Surface Area 66.400 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 482.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 4 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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