Details
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)
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
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL1795155 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21840723 |
19.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Primary | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
---|---|---|
In vitro biologic activities of the antimicrobials triclocarban, its analogs, and triclosan in bioassay screens: receptor-based bioassay screens. | 2008 Sep |
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Cytokinin-induced structural adaptability of a Lupinus luteus PR-10 protein. | 2009 Mar |
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Identification of wastewater bacteria involved in the degradation of triclocarban and its non-chlorinated congener. | 2010 Nov 15 |
Patents
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18585390
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).
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SUBSTANCE RECORD