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Details

Stereochemistry ACHIRAL
Molecular Formula C12H20N6O
Molecular Weight 264.3268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Peturadol

SMILES

NC1=NC=NC2=C1N=CN2CCNCCCCCO

InChI

InChIKey=CVPTTZZCRDVGSU-UHFFFAOYSA-N
InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)

HIDE SMILES / InChI

Molecular Formula C12H20N6O
Molecular Weight 264.3268
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

NB-001, an oil-in-water emulsion containing high energy nanometer-sized droplets stabilized by surfactants is designed for topical treatment of herpes labialis infections. NB-001 diffuses through the stratum corneum via the follicular route to accumulate in the epidermal and dermal tissues, without disrupting the normal epithelial matrix. The concentrations achieved in the epidermis and dermis are well above the concentrations required for antiviral activity.

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Doses

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as victim

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Subjects applied 200 µL of NB-001 (0.1%, 0.3%, 0.5%) 5 times daily for a maximum of 4 days.
Route of Administration: Topical
In Vitro Use Guide
Strains of HSV-1and HSV-2 (3 x 105 - 7.5 x 106 pfu/ml) were exposed to different concentrations of NB-001 for 15 minutes at room temperature and residual live virus was measured in a standard plaque-forming assay. The IC95 values of NB-001 against either HSV-1 or -2 virus ranged from 3 - 14 μg/ml.
Substance Class Chemical
Record UNII
J89QT81NBQ
Record Status Validated (UNII)
Record Version