Information
COH-29 COH29 (RNR Inhibitor COH29) is a potent inhibitor of ribonucleotide reductase (RNR) with anticancer activity. COH29 (RNR Inhibitor COH29) inhibits recombinant RNR small subunit (RRM1/RRM2) activity in vitro with IC50 of 16 μM.
Targets
RNR (Cell-free assay) 16 μM
| ALogP | 4.4 |
|---|---|
| hba_count | 2 |
| HBD Count | 5 |
| Rotatable Bond | 4 |
| Canonical Smiles | C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O |
|---|---|
| IUPAC Name | N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide |
| InChIKey | LGGDLPSXAGQFSG-UHFFFAOYSA-N |
| INCHI | 1S/C22H16N2O5S/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14/h1-11,25-28H,(H,23,24,29) |
| Isomeric SMILES | C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O |
| Molecular Weight | 420.44 |
| Reaxy-Rn | 19542631 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19542631&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | Catechols Benzoyl derivatives 2,4,5-trisubstituted thiazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2401108 | Certificate of Analysis | May 13, 2026 | C420844 |
| DMSO(mg / mL) Max Solubility | 40 |
|---|---|
| DMSO(mM) Max Solubility | 95.1384264104272 |
| Water(mg / mL) Max Solubility | 60 |
| Water(mM) Max Solubility | 142.707639615641 |
| Molecular Weight | 420.400 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 420.078 Da |
| Monoisotopic Mass | 420.078 Da |
| Topological Polar Surface Area | 151.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 590.000 |
| 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 |
