Nadide

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Nadide
Accession Number
DB14128
Type
Small Molecule
Groups
Experimental
Description

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)

Structure
Thumb
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
  • Nadidum
  • Nicotinamide adenine dinucleotide
  • Nicotinamide dinucleotide
  • Nicotinamide-adenine dinucleotide
  • Nicotineamide adenine dinucleotide
  • Oxidized diphosphopyridine nucleotide
  • Pyridine, nucleotide diphosphate
External IDs
BRN 3584133
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Bonogen hair care shampooNadide (0.3 g/100g) + Biotin (0.06 g/100g) + Panthenol (0.5 g/100g) + Pyrithione zinc (2.1 g/100g)ShampooTopicalBonogen Co., Ltd2010-03-01Not applicableUs
Bonogen Plus hair care shampooNadide (0.3 g/100g) + Biotin (0.06 g/100g) + Panthenol (0.6 g/100g) + Pyrithione zinc (2.1 g/100g)ShampooTopicalBonogen Co., Ltd2010-04-09Not applicableUs
Born HairNadide (0.3 g/100g) + Biotin (0.06 g/100g) + Panthenol (0.6 g/100g) + Pyrithione zinc (2.1 g/100g)ShampooTopicalBonogen Co., Ltd2010-04-09Not applicableUs
Categories
UNII
0U46U6E8UK
CAS number
53-84-9
Weight
Average: 663.4251
Monoisotopic: 663.109121631
Chemical Formula
C21H27N7O14P2
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
5681
BindingDB
213227
ChEBI
44215
ChEMBL
CHEMBL1234613
HET
NAD
Wikipedia
Nicotinamide_adenine_dinucleotide
PDB Entries
1a4z / 1a5z / 1a71 / 1a7a / 1a7k / 1a9y / 1a9z / 1ad3 / 1agn / 1ahh
show 1303 more

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
ShampooTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.14 mg/mLALOGPS
logP-1.2ALOGPS
logP-11ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)1.86ChemAxon
pKa (Strongest Basic)6.4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area322.08 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity151.81 m3·mol-1ChemAxon
Polarizability58.5 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Classification
Not classified

Drug created on June 24, 2018 10:59 / Updated on November 02, 2018 07:50