Nadide

Identification

Generic Name

Nadide

DrugBank Accession Number

DB14128

Background

A coenzyme composed of ribosylnicotinamide 5'-diphosphate coupled to adenosine 5'-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). (Dorland, 27th ed)

Type

Small Molecule

Groups

Experimental

Structure

3D

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MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Nadide (DB14128)

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Weight

Average: 663.4251
Monoisotopic: 663.109121631

Chemical Formula

C₂₁H₂₇N₇O₁₄P₂

Synonyms

• beta-Diphosphopyridine nucleotide
• beta-NAD
• beta-NAD+
• beta-Nicotinamide adenine dinucleotide
• Codehydrase I
• Codehydrogenase I
• Coenzyme I
• Cozymase I
• Diphosphopyridine nucleotide
• DPN
• NAD
• NAD+
• Nadida
• Nadide
• Nadidum
• Nicotinamide adenine dinucleotide
• Nicotinamide dinucleotide
• Nicotinamide-adenine dinucleotide
• Nicotineamide adenine dinucleotide
• Oxidized diphosphopyridine nucleotide
• Pyridine, nucleotide diphosphate

External IDs

• BRN 3584133

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action

Not Available

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Not Available

Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects

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Toxicity

Not Available

Pathways

Not Available

Pharmacogenomic Effects/ADRs

Not Available

Interactions

Drug Interactions

This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

Not Available

Food Interactions

Not Available

Products

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Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Bonogen hair care shampoo	Nadide (0.3 g/100g) + Biotin (0.06 g/100g) + Panthenol (0.5 g/100g) + Pyrithione zinc (2.1 g/100g)	Shampoo	Topical	Bonogen Co., Ltd	2010-03-01	Not applicable
Bonogen Plus hair care shampoo	Nadide (0.3 g/100g) + Biotin (0.06 g/100g) + Panthenol (0.6 g/100g) + Pyrithione zinc (2.1 g/100g)	Shampoo	Topical	Bonogen Co., Ltd	2010-04-09	Not applicable
Born Hair	Nadide (0.3 g/100g) + Biotin (0.06 g/100g) + Panthenol (0.6 g/100g) + Pyrithione zinc (2.1 g/100g)	Shampoo	Topical	Bonogen Co., Ltd	2010-04-09	Not applicable

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Bonogen hair care shampoo	Nadide (0.3 g/100g) + Biotin (0.06 g/100g) + Panthenol (0.5 g/100g) + Pyrithione zinc (2.1 g/100g)	Shampoo	Topical	Bonogen Co., Ltd	2010-03-01	Not applicable
Bonogen Plus hair care shampoo	Nadide (0.3 g/100g) + Biotin (0.06 g/100g) + Panthenol (0.6 g/100g) + Pyrithione zinc (2.1 g/100g)	Shampoo	Topical	Bonogen Co., Ltd	2010-04-09	Not applicable
Born Hair	Nadide (0.3 g/100g) + Biotin (0.06 g/100g) + Panthenol (0.6 g/100g) + Pyrithione zinc (2.1 g/100g)	Shampoo	Topical	Bonogen Co., Ltd	2010-04-09	Not applicable

Categories

Drug Categories

• Adenine Nucleotides
• Coenzymes
• Enzymes and Coenzymes
• Heterocyclic Compounds, Fused-Ring
• Nucleic Acids, Nucleotides, and Nucleosides
• Nucleotides
• Purine Nucleotides
• Purines
• Ribonucleotides

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

(5'->5')-dinucleotides

Sub Class

Not Available

Direct Parent

(5'->5')-dinucleotides

Alternative Parents

Purine nucleotide sugars / Purine ribonucleoside diphosphates / Purine ribonucleoside monophosphates / Nicotinamide nucleotides / Pentose phosphates / Glycosylamines / Monosaccharide phosphates / 6-aminopurines / Organic pyrophosphates / Nicotinamides / Monoalkyl phosphates / Aminopyrimidines and derivatives / Imidolactams / Pyridinium derivatives / N-substituted imidazoles / Heteroaromatic compounds / Tetrahydrofurans / Secondary alcohols / Oxacyclic compounds / Azacyclic compounds / Carboximidic acids / Hydrocarbon derivatives / Organic oxides / Organic zwitterions / Organopnictogen compounds / Primary amines

show 16 more

Substituents

(5'->5')-dinucleotide / 6-aminopurine / Alcohol / Alkyl phosphate / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Carboximidic acid / Carboximidic acid derivative / Glycosyl compound / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / Imidazopyrimidine / Imidolactam / Monoalkyl phosphate / Monosaccharide / Monosaccharide phosphate / N-glycosyl compound / N-substituted imidazole / Nicotinamide / Nicotinamide-nucleotide / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organic phosphoric acid derivative / Organic pyrophosphate / Organic zwitterion / Organoheterocyclic compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound / Oxacycle / Pentose phosphate / Pentose-5-phosphate / Phosphoric acid ester / Primary amine / Purine / Purine nucleotide sugar / Purine ribonucleoside diphosphate / Purine ribonucleoside monophosphate / Pyridine / Pyridine nucleotide / Pyridinium / Pyrimidine / Secondary alcohol / Tetrahydrofuran

show 39 more

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

NAD (CHEBI:44215)

Affected organisms

Not Available

Chemical Identifiers

UNII

0U46U6E8UK

CAS number

53-84-9

InChI Key

BAWFJGJZGIEFAR-NNYOXOHSSA-N

InChI

InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

IUPAC Name

1-[(2R,3R,4S,5R)-5-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono}oxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-(C-hydroxycarbonimidoyl)-1lambda5-pyridin-1-ylium

SMILES

NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O

References

General References

Not Available

External Links

ChemSpider

5681

BindingDB

213227

RxNav

1044975

ChEBI

44215

ChEMBL

CHEMBL1234613

PDBe Ligand

NAD

Wikipedia

Nicotinamide_adenine_dinucleotide

PDB Entries

1a4z / 1a5z / 1a71 / 1a7a / 1a7k / 1a9y / 1a9z / 1ad3 / 1agn / 1ahh …

show 1770 more

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
2	Completed	Treatment	Coronavirus Disease 2019 (COVID‑19) / Post COVID-19 Syndrome / Post-acute COVID-19 (PACS), or "Long COVID" Syndrome	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Shampoo	Topical

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	2.14 mg/mL	ALOGPS
logP	-1.2	ALOGPS
logP	-11	Chemaxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	1.86	Chemaxon
pKa (Strongest Basic)	6.4	Chemaxon
Physiological Charge	-1	Chemaxon
Hydrogen Acceptor Count	16	Chemaxon
Hydrogen Donor Count	8	Chemaxon
Polar Surface Area	322.08 Å2	Chemaxon
Rotatable Bond Count	11	Chemaxon
Refractivity	151.81 m3·mol-1	Chemaxon
Polarizability	58.5 Å3	Chemaxon
Number of Rings	5	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	Not Available

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Drug created at June 24, 2018 16:59 / Updated at February 21, 2021 18:54