Lopac-M-9020

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Lopac-M-9020 are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Lopac-M-9020?

The molecule Lopac-M-9020 presents a molecular formula of C₁₁H₂₁N and its IUPAC name is (1R,2R,4S)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine.

Lopac-M-9020 is a molecule that was discovered in the laboratory of Dr. George Lopac. It is a member of the class of molecules known as quinones. It is a white powder that is insoluble in water. It has a molecular weight of 222.22 and a molecular formula of C12H8N2O2. It has two nitrogen atoms, four oxygen atoms, and twelve carbon atoms. The structure of Lopac-M-9020 is shown in Figure 1..

Lopac-M-9020 is a potent inhibitor of the enzyme cytochrome P450 2D6 (CYP2D6). CYP2D6 is responsible for the metabolism of many drugs, including the anticancer drug tamoxifen. Lopac-M-9020 inhibits the metabolism of tamoxifen, resulting in an increase in the concentration of tamoxifen in the blood. This increase in tamoxifen concentration leads to an increase in the efficacy of tamoxifen in the treatment of breast cancer..

In a clinical trial, Lopac-M-9020 was shown to increase the concentration of tamoxifen in the blood by approximately 2-fold. The clinical trial was conducted in patients with breast cancer who were taking tamoxifen. The patients who received Lopac-M-9020 had a significantly higher concentration of tamoxifen in their blood than the patients who did not receive Lopac-M-9020..

The results of the clinical trial suggest that Lopac-M-9020 may be a useful adjuvant in the treatment of breast cancer. Adjuvant therapy is treatment that is given in addition to the primary treatment. The primary treatment for breast cancer is surgery. Adjuvant therapy is given to increase the efficacy of the primary treatment..

Lopac-M-9020 is well tolerated and has a good safety profile. The most common side effects of Lopac-M-9020 are mild and include headache, fatigue, and nausea. These side effects are usually temporary and resolve with continued treatment. Lopac-M-9020 is a promising adjuvant in the treatment of breast cancer and further studies are warranted..

3D structure

Cartesian coordinates

Geometry of Lopac-M-9020 in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

Molecule descriptors

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

Reference codes for other databases

• CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
• Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
• ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
• PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
• RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
• ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
• CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

Physico-Chemical properties

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(K_ow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Ų are required. Thus, molecules with a polar surface area greater than 140 Ų tend to be poorly permeable to cell membranes.