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Details

Stereochemistry ACHIRAL
Molecular Formula C6H18O24P6
Molecular Weight 660.0353
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FYTIC ACID

SMILES

OP(O)(=O)O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O

InChI

InChIKey=IMQLKJBTEOYOSI-GPIVLXJGSA-N
InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-

HIDE SMILES / InChI

Molecular Formula C6H18O24P6
Molecular Weight 660.0353
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Phytic acid is a major phosphorus storage compound of most seeds and cereal grains. It has the strong ability to chelate multivalent metal ions, especially zinc, calcium, and iron. Phytic acid is also considered to be a natural antioxidant and is suggested to have potential functions of reducing lipid peroxidation and as a preservative in foods. Clathrin-associated adaprot complex AP-2 has it been suggested may act as one of the receptor sites for Phytic acid. Both in vivo and in vitro experiments have demonstrated striking anticancer (preventive as well as therapeutic) effects of Phytic acid.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
Unknown
Preventing
Unknown
Preventing
Unknown
Primary
Unknown
Primary
Unknown
Primary
Unknown
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
0.12 μg/mL
1400 mg single, oral
FYTIC ACID plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
0.52 μg × h/mL
1400 mg single, oral
FYTIC ACID plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
4 h
1400 mg single, oral
FYTIC ACID plasma
Homo sapiens

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as perpetrator​

PubMed

Sample Use Guides

In Vivo Use Guide
2,000-3,000 mg daily in two divided doses as Phytic Acid calcium/magnesium salt.
Route of Administration: Oral
In Vitro Use Guide
Human cell lines HT-29, SW-480 and SW-620 derived from colorectal carcinoma was used for activity evaluation. Stock solutions of IP6 (Phytic Acid) and Ins were prepared in PBS without ions and stored in a refrigerator until use. Before each experiment, stocks were diluted to the final concentration in Nutrient Mixture F-12 Ham (N-4888) with 1% FBS and 1% L-glutamine. For experiments, the cells were seeded into cultivation flasks (Nunclon, Roskilde, Denmark) at the density of 1x10^5 cells/ml (in 20 ml total volume) or 96-well plates (Nunclon, Roskilde, Denmark; Greiner bio-one, Germany) at concentration of 6,000 cells/well, always with the first column of wells without cells (blank) and allowed to grow overnight. After 24 h, the medium was aspirated and cells were exposed to the freshly prepared medium containing IP6 (0.2, 1 and 5 mM), Ins or their combination for 24, 48 or 72 h. At the end of each incubation, the medium was removed; cells were washed twice and exposed to medium with 100 μl of WST-1. After 2 h, the changes in absorbance were recorded by a photometer SPEKTRAFluor Plus, Tecan (Salzburg, Austria) at 450 nm with 650 nm of reference wavelength.
Substance Class Chemical
Record UNII
7IGF0S7R8I
Record Status Validated (UNII)
Record Version