CALCIUM PHYTATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6O24P6.6Ca
Molecular Weight	888.408
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[O-]P([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=WPEXVRDUEAJUGY-BQYPOXACSA-B

InChI=1S/C6H18O24P6.6Ca/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);;;;;;/q;6*+2/p-12/t1-,2-,3-,4+,5-,6-;;;;;;

HIDE SMILES / InChI

Molecular Formula	C6H6O24P6
Molecular Weight	647.94
Charge	-12
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27272247 | https://www.ncbi.nlm.nih.gov/pubmed/22754573 | https://www.ncbi.nlm.nih.gov/pubmed/20930278

CALCIUM PHYTATE is a calcium salt of phytic acid (also known as myo-inositol hexakisphosphate (IP6), inositol polyphosphate), which is a strong chelator (complexing agent) of important minerals such as calcium, iron. In nature, it functions as storage for phosphorus in plants, especially in the hulls of nuts and seeds. Phytic acid (IP6) for a long period was considered an antinutritional factor. However, in vitro and in vivo studies have demonstrated its beneficial effects in the prevention and treatment of several pathological conditions and cancer. It also exhibits protective action in Parkinson's disease and this is correlated with its anti-inflammatory effect, which may be associated with suppression of pathways that involved in NF-κB and p-ERK. In addition was discovered, that phytic acid might provide a viable treatment option for Alzheimer's disease.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
iron 1 Target ID: iron Sources: https://www.ncbi.nlm.nih.gov/pubmed/8772254	Chelating Agent 142

Conditions

Condition	Modality	Highest Phase	Product
Colorectal cancer 101 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20127021	Primary	Basic research	Unknown Approved Use Unknown
Colon cancer 62 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21501094	Primary	Preclinical	Unknown Approved Use Unknown
Alzheimer’s disease 272 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20930278	Primary	Preclinical	Unknown Approved Use Unknown
Parkinson's disease 226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25929185	Preventing	Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Inositol hexakisphosphate binds to clathrin assembly protein 3 (AP-3/AP180) and inhibits clathrin cage assembly in vitro.	1995 Jan 6	7814377
A phospholipase C-dependent inositol polyphosphate kinase pathway required for efficient messenger RNA export.	1999 Jul 2	10390371
Phytate levels in diverse rat tissues: influence of dietary phytate.	2001 Aug	11502236
Assessing the omnipotence of inositol hexakisphosphate.	2001 Mar	11282453
Phytic acid suppresses 1-methyl-4-phenylpyridinium ion-induced hydroxyl radical generation in rat striatum.	2003 Jul 18	12834920
Phytic acid as alternative setting retarder enhanced biological performance of dicalcium phosphate cement in vitro.	2017 Apr 3	28373697
Inositol hexa phosphoric acid (phytic acid), a nutraceuticals, attenuates iron-induced oxidative stress and alleviates liver injury in iron overloaded mice.	2017 Mar	28068635

Patents

Sample Use Guides

In Vivo Use Guide

in mice (alzheimer's pathology): 2% phytic acid in drinking water for 70 days

Route of Administration: Oral

In Vitro Use Guide

It was examined the antioxidant effect of phytic acid on iron (II)-enhanced hydroxyl radical (*OH) generation induced by 1-methyl-4-phenylpyridinium ion (MPP(+)) in the extracellular fluid of rat striatum. Phytic acid (100 microM) did not significantly decrease the levels of MPP(+)-induced *OH formation trapped as 2,3-DHBA. To confirm the generation of *OH by the Fenton-type reaction, iron (II) was infused through a microdialysis probe. Introduction of iron (II) (10 microM) enhanced MPP(+) induced *OH generation. However, phytic acid significantly suppressed iron (II)-enhanced *OH formation after MPP(+) treatment (n=6, P<0.05). These results suggest that the antiradical effect of phytic acid occurs by chelating iron required for the MPP(+)-enhanced *OH generation via the Fenton-type reaction.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:24:35 GMT 2023` Edited by `admin` on `Fri Dec 15 15:24:35 GMT 2023`
Record UNII	L1WK0T5S7Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM PHYTATE

Common Name

English

INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM SALT (1:6), MYO-

Common Name

English

MYO-INOSITOL, 1,2,3,4,5,6-HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM SALT (1:6)

Common Name

English

INOSITOL HEXAPHOSPHATE CALCIUM SALT

Common Name

English

FERRONIF

Common Name

English

MYO-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), CALCIUM SALT (1:6)

Common Name

English

CALCIUM PHYTATE [HSDB]

Common Name

English

CALCIUM FYTATE

Common Name

English

Classification Tree Code System Code

DSLD

3413 (Number of products:2)