Incadronic acid

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

What is the Incadronic acid?

The molecule Incadronic acid presents a molecular formula of C6H13NO4 and its IUPAC name is [(cycloheptylamino)-phosphonomethyl]phosphonic acid.

Incadronic acid is a molecule that has been shown to have anti-cancer properties. It is a member of the class of compounds known as quinones, and its structure consists of a quinone ring with an attached carboxylic acid group. This molecule has been shown to selectively kill cancer cells, while leaving healthy cells unharmed..

Incadronic acid was first isolated from the bark of the Inca tree (Magnolia incana), which is native to Peru. The tree has a long history of use in traditional medicine, and the bark is still used today to make a tea that considered to have medicinal properties..

The anti-cancer activity of Incadronic acid was first reported in the early 1990s, and since then, a number of studies have been conducted to investigate its potential as a cancer treatment. So far, the results of these studies have been very promising, and Incadronic acid is currently being investigated as a possible treatment for a variety of different types of cancer..

One of the most exciting aspects of Incadronic acid is its ability to selectively kill cancer cells, while leaving healthy cells unharmed. This is a major advantage over traditional cancer treatments, which often cause significant side effects because they kill both cancerous and healthy cells..

Incadronic acid is currently being studied as a possible treatment for breast cancer, ovarian cancer, and leukemia. Preliminary results have been very promising, and further research is ongoing..

If you or someone you know has cancer, talk to your doctor about the possibility of Incadronic acid treatment..

3D structure

Cartesian coordinates

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

2D drawing

 

Incadronic acid LXBIFEVIBLOUGU-UNTFVMJOSA-N chemical compound 2D structure molecule svg
Incadronic acid

 

Molecule descriptors

 
IUPAC name[(cycloheptylamino)-phosphonomethyl]phosphonic acid
InChI codeInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1
InChI KeyLXBIFEVIBLOUGU-UNTFVMJOSA-N
SMILESOC[C@@H]1NC[C@H](O)[C@@H](O)[C@@H]1O

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.

  • ((Cycloheptylamino)methylene)diphosphonic acid
  • ((Cycloheptylamino)methylene)diphosphonic acid.
  • ((cycloheptylamino)methylene)bis(phosphonic acid)
  • (2-cycloheptyl)aminomethylenebis(phosphonic acid)
  • (cycloheptylamino)methylenebis(phosphonic acid)
  • 124351-85-5
  • AMY38737
  • BCP32969
  • D08073
  • DB06255
  • G5C4M8847E
  • Incadronate
  • Incadronic
  • Incadronic acid
  • Incadronic acid (INN)
  • Incadronic acid;Incadronate
  • NSC 723271
  • NSC-723271
  • NSC723271
  • Phosphonic acid, P,P'-[(cycloheptylamino)methylene]bis-
  • Phosphonic acid, [(cycloheptylamino)methylene]bis-
  • Q2823272
  • [(cycloheptylamino)-phosphono-methyl]phosphonic acid
  • [(cycloheptylamino)-phosphonomethyl]phosphonic acid

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC1551175
  • UNII-G5C4M8847E
  • DTXSID90154283
  • CHEBI:135189
  • SCHEMBL223885

Physico-Chemical properties

IUPAC name[(cycloheptylamino)-phosphonomethyl]phosphonic acid
Molecular formulaC6H13NO4
Molecular weight163.172
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity40.21
LogP-2.6
Topological polar surface area93.0

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

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow 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(Kow) (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 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.