| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H12N2O |
| Molecular Weight | 212.2472 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C(NC1=CC=CC=C1)NC2=CC=CC=C2
InChI
InChIKey=GWEHVDNNLFDJLR-UHFFFAOYSA-N
InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
| Molecular Formula | C13H12N2O |
| Molecular Weight | 212.2472 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
1,3-Diphenylurea is a cytokinin first identified in coconut milk. It is a hormone that promotes cell division in plant roots and shoots. 1,3-Diphenylurea is a nanomolar inhibitor of epoxide hydrolase B from Mycobacterium tuberculosis and its derivatives were developed for the treatment of tuberculosis.
Originator
Approval Year
PubMed
Patents
Sample Use Guides
IC50 values were determined using fluorescent substrate cyano(6-methoxy-naphthalen-2-yl) methyl trans-[(3-phenyloxiran-2-yl)methyl] carbonate (compound 6). Mycobacterium tuberculosis epoxide hydrolase B ([E] ~30 nM; 1.5 g/ml) was incubated with inhibitor ([I]=5–100,000 nM) for 5 min in BisTris–HCl buffer (25 mM, pH 7.0, containing 0.1 mg/ml of bovine serum albumin) at 30 °C prior to substrate introduction ([S]=5 μM). Enzyme activity was measured by monitoring the appearance of fluorescent of 6-methoxy-naphthaldehyde (λex 330 nm and λem 465 nm).