CALCIUM PANTOTHENATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C9H16NO5.Ca
Molecular Weight	476.532
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O

InChI

InChIKey=FAPWYRCQGJNNSJ-UBKPKTQASA-L

InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C9H16NO5
Molecular Weight	218.227
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
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: http://umm.edu/health/medical/altmed/supplement/vitamin-b5-pantothenic-acid | http://www.altmedrev.com/publications/16/3/263.pdf

Pantothenic acid (known as Vitamin B5) is a water-soluble member of the B-vitamin family that is converted into 4’-phosphopantetheine, which is then converted to co-enzyme A (CoA) via adenosine triphosphate. Pantothenic acid regulates epidermal barrier function and keratinocytes differentiation via CoA metabolism. Pantothenic acid is incorporated into co-enzyme A and protects cells against peroxidative damage by increasing the level of glutathione. A recent feasibility study has also shown that daily oral supplementation of a nutritional agent containing pantothenic acid for 8 weeks was feasible and safe. It was discovered the different pharmacological implementation of pantothenic acid, such as treatment of acne, obesity. Existed some reports, mentioned efficacy using pantothenic acid in systemic lupus erythematosus. Significant reduction in morning stiffness, degree of disability, and severity of pain was reported for persons taking pantothenic acid in case of osteoarthritis and rheumatoid arthritis. Vitamin B5 may increase the effects of a group of drugs called cholinesterase inhibitors, which are used to treat Alzheimer's disease. That might lead to severe side effects.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Pantothenate kinase 2, mitochondrial 4 Target ID: Q9BZ23\|\|\|Q8TCR5 Gene ID: 80025.0 Gene Symbol: PANK2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/26549575	Substrate 661
Pantothenate kinase 1 4 Target ID: Q8TE04 Gene ID: 53354.0 Gene Symbol: PANK1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/26549575	Substrate 661

Conditions

Condition	Modality	Highest Phase	Product
Pernicious anemia 8 Sources: https://www.sdrugs.com/?c=drug&s=vitaped	Primary	Approved 8429	VITAPED Approved Use For treatment of pernicious anemia (due to lack of or inhibition of intrinsic factor) and for prevention and treatment of vitamin B 12 deficiency. Launch Date 1993
Acne 98 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24831048	Palliative	Not Provided 504	Unknown Approved Use Unknown
Systemic lupus erythematosus 16 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15142649	Palliative	Not Provided 504	Unknown Approved Use Unknown
Osteoarthrosis 6 Sources: https://www.ncbi.nlm.nih.gov/pubmed/4927866	Palliative	Not Provided 504	Unknown Approved Use Unknown
Rheumatoid arthritis 316 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13104837	Palliative	Not Provided 504	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
[Studies on calluses induced from various explants of Cistanche deserticola].	2001 Apr	12587154
Pantothenic acid: an organ-specific pro-oxidant vitamin. Brain and liver neuroprostane levels in rats fed a pantothenic acid-deficient diet.	2002	12664639
Protection by pantothenic acid against apoptosis and cell damage by oxygen free radicals--the role of glutathione.	2003	12897429
Fermentative activity and production of volatile compounds by Saccharomyces grown in synthetic grape juice media deficient in assimilable nitrogen and/or pantothenic acid.	2003	12588542
[Advance in therapy of acute rhinitis--comparison of efficacy and safety of xylometazoline in combination xylometazoline-dexpanthenol in patients with acute rhinitis].	2003 Apr	12717602
Use of the mannitol pathway in fructose fermentation of Oenococcus oeni due to limiting redox regeneration capacity of the ethanol pathway.	2003 Apr	12677361
Efficacy of dexpanthenol in skin protection against irritation: a double-blind, placebo-controlled study.	2003 Aug	14641355
Determination of water-soluble vitamins in soft drinks and vitamin supplements using capillary electrophoresis.	2003 Aug	13678262
Structure of E. coli ketopantoate hydroxymethyl transferase complexed with ketopantoate and Mg2+, solved by locating 160 selenomethionine sites.	2003 Aug	12906829
Long-term treatment of Barth syndrome with pantothenic acid: a retrospective study.	2003 Dec	14654353
The optimization of HPLC-UV conditions for use with FTIR detection in the analysis of B vitamins.	2003 Feb	12639258
[Ogilvie's syndrome: a rare cause of the acute abdomen].	2003 Feb	12592600
[Febrile respiratory infection and erythema in a 25-year-old man].	2003 Feb 7	12571794
Specialization of function among aldehyde dehydrogenases: the ALD2 and ALD3 genes are required for beta-alanine biosynthesis in Saccharomyces cerevisiae.	2003 Jan	12586697
Malnutrition in institutionalized seniors: the iatrogenic component.	2003 Jan	12534851
Committee on food nutrition. Water-soluble vitamins.	2003 Jan-Feb	12607755
Competitive and interactions affecting a fermentative spirochete in anaerobic chemostats.	2003 Jul	14582492
Pantothenic acid quantification by a stable isotope dilution assay based on liquid chromatography-tandem mass spectrometry.	2003 Jul	12894818
The crystal structure of the first enzyme in the pantothenate biosynthetic pathway, ketopantoate hydroxymethyltransferase, from M tuberculosis.	2003 Jul	12842039
Biotin uptake by human intestinal and liver epithelial cells: role of the SMVT system.	2003 Jul	12646417
An evaluation of protein assays for quantitative determination of drugs.	2003 Jul 31	12834962
Vitamin intake in Japanese women college students.	2003 Jun	12953791
Magnetic resonance imaging and Hallervorden-Spatz syndrome.	2003 Jun	12868452
Lactation performance by dairy cows fed supplemental biotin and a B-vitamin blend.	2003 Jun	12836947
Structural insights into the evolution of the pantothenate-biosynthesis pathway.	2003 Jun	12773157
[The protective effect of dexpanthenol in nasal sprays. First results of cytotoxic and ciliary-toxic studies in vitro].	2003 Mar	12673516
Transport of biotin in human keratinocytes.	2003 Mar	12603856
[Regulation of acetate metabolism in a strain of Acinetobacter sp., growing on ethanol].	2003 Mar-Apr	12722651
Risk analysis applied to food fortification.	2003 May	12740077
[Development of nutrient medium for the cultivation of Lactobacillus plantarum 8R-A3 ].	2003 May-Jun	12945192
Pharmacotherapy for dyslipidaemia--current therapies and future agents.	2003 Nov	14596646
Environmental, life-style, and physical precursors of clinical Parkinson's disease: recent findings from the Honolulu-Asia Aging Study.	2003 Oct	14579122
Substrate specificity and kinetic isotope effect analysis of the Eschericia coli ketopantoate reductase.	2003 Sep 30	14503879
Metabolic network analysis during fed-batch cultivation of Corynebacterium glutamicum for pantothenic acid production: first quantitative data and analysis of by-product formation.	2003 Sep 4	12948644
Cofactor engineering of intracellular CoA/acetyl-CoA and its effect on metabolic flux redistribution in Escherichia coli.	2004 Apr	15113566
Mitochondrial decay, a major cause of aging, can be delayed.	2004 Apr	15096694
Cell division defects of Schizosaccharomyces pombe liz1- mutants are caused by defects in pantothenate uptake.	2004 Apr	15075270
Determination of vitamin B5 in a range of fortified food products by reversed-phase liquid chromatography-mass spectrometry with electrospray ionisation.	2004 Apr 2	15065769
Fluorimetric determination of pantothenic acid in foods by liquid chromatography with post-column derivatization.	2004 Apr 30	15117078
The structure of the pantothenate kinase.ADP.pantothenate ternary complex reveals the relationship between the binding sites for substrate, allosteric regulator, and antimetabolites.	2004 Aug 20	15136582
Vanin-1(-/-) mice show decreased NSAID- and Schistosoma-induced intestinal inflammation associated with higher glutathione stores.	2004 Feb	14966568
Clear hydro-gel, compared to ointment, provides improved eye comfort after brief surgery.	2004 Feb	14766687
Prevention of tungiasis using a biological repellent: a small case series.	2004 Jan	15000736
Organisation of the pantothenate (vitamin B5) biosynthesis pathway in higher plants.	2004 Jan	14675432
One-pot chemoenzymatic preparation of coenzyme A analogues.	2004 Jan 1	14654051
Copper-mediated synthesis of N-acyl vinylogous carbamic acids and derivatives: synthesis of the antibiotic CJ-15,801.	2004 Jan 8	14703342
Coenzyme A biosynthesis: reconstruction of the pathway in archaea and an evolutionary scenario based on comparative genomics.	2004 Jul	15014152
Are WHO/UNAIDS/UNICEF-recommended replacement milks for infants of HIV-infected mothers appropriate in the South African context?	2004 Mar	15112004
[Riboflavin-radical formation by mechanochemical solid-state reaction using stainless steel vessel].	2004 Mar	15049132
Chemo- and regioselective peptide cyclization triggered by the N-terminal fatty acid chain length: the recombinant cyclase of the calcium-dependent antibiotic from Streptomyces coelicolor.	2004 Mar 16	15005627

Patents

Sample Use Guides

In Vivo Use Guide

The Dietary Reference Intake (DRI) established by the Institute of Medicine for pantothenic acid is as follows: 1–3 years old: 2 mg/d; 4–8 years old: 3 mg/d; 9–13 years old: 4 mg/d; 14 years old and over: 5 mg/d; Pregnancy: 6 mg/d; Lactation: 7 mg/d

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:22:32 GMT 2023` Edited by `admin` on `Fri Dec 15 15:22:32 GMT 2023`
Record UNII	568ET80C3D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CALCIUM PANTOTHENATE

Official Name

English

VITAMIN B5, CALCIUM SALT

Common Name

English

CALCIUM PANTOTENATE

Common Name

English

CALCIUM PANTOTHENATE [EP MONOGRAPH]

Common Name

English

PANTOTHENIC ACID (AS CALCIUM)

Common Name

English

calcium pantothenate [INN]

Common Name

English

CALCIUM PANTOTHENATE [JAN]

Common Name

English

PANTOTHENIC ACID (AS CALCIUM) [VANDF]

Common Name

English

CALCIUM PANTOTHENATE [EP IMPURITY]

Common Name

English

CALPAN

Brand Name

English

CALCIUM PANTOTHENATE [USP MONOGRAPH]

Common Name

English

CALCIUM D-PANTOTHENATE

Systematic Name

English

PANTOTHENIC ACID, CALCIUM SALT (2:1), D-

Common Name

English

CALCIUM PANTOTHENATE [VANDF]

Common Name

English

CALCIUM PANTOTHENATE, (+)-

Systematic Name

English

PANTHOLIN

Brand Name

English

CALCIUM D-PANTOTHENATE (1:2)

Systematic Name

English

CALCIUM PANTOTHENATE [USP-RS]

Common Name

English

Calcium pantothenate [WHO-DD]

Common Name

English

CALCIUM PANTOTHENATE [INCI]

Common Name

English

(+)-PANTOTHENIC ACID CALCIUM SALT

Common Name

English

CALCIUM PANTOTHENATE, D-

Common Name

English

.BETA.-ALANINE, N-(2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-, CALCIUM SALT (2:1), (R)-

Common Name

English

PANTOTHENIC ACID CALCIUM SALT

Common Name

English

D-CALCIUM PANTOTHENATE

Common Name

English

PANTOTHENIC ACID (AS CALCIUM PANTOTHENATE)

Common Name

English

NSC-36292

Code

English

PANTOTHENIC ACID CALCIUM SALT [MI]

Common Name

English

D-CA PANTOTHENATE

Common Name

English

Classification Tree Code System Code

WHO-ATC

A11HA31