Peturadol

Investigational

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 Search

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

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

Description
Sources: https://idsa.confex.com/idsa/2008/webprogram/Paper26282.html
Curator's Comment: description was created based on several sources, including: https://idsa.confex.com/idsa/2008/webprogram/Paper26299.html

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

Condition	Modality	Targets	Highest Phase	Product
Herpes labialis 8 Sources: https://clinicaltrials.gov/ct2/show/NCT01695187	Primary		Phase III 665	Unknown Approved Use Unknown

Doses

Dose	Population	Adverse events
0.5 % 5 times / day multiple, topical Highest studied dose Dose: 0.5 %, 5 times / day Route: topical Route: multiple Dose: 0.5 %, 5 times / day Sources: https://idsa.confex.com/idsa/2008/webprogram/Paper26282.html	unhealthy, ADULT Health Status: unhealthy Age Group: ADULT Sex: M+F Food Status: UNKNOWN Sources: https://idsa.confex.com/idsa/2008/webprogram/Paper26282.html	Sources: https://idsa.confex.com/idsa/2008/webprogram/Paper26282.html

Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
	P-gp 2052

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
P-gp 2052	substrate 4014 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1346987#sid=363681251	no

Sourcing

Vendor/Aggregator	ID	URL
Alfa Chemistry	19016	http://www.alfa-chemistry.com/search.aspx?q=19016
Alfa Chemistry	AFI686301484	http://www.alfa-chemistry.com/search.aspx?q=AFI686301484
Angene	AGN-PC-0KLL4P	http://www.angenechemical.com/productshow/AGN-PC-0KLL4P.html
Chem Scene	CS-0003352	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0003352
eMolecules	1112077	https://orderbb.emolecules.com/search/#?query=1112077
Frontier Scientific Services	650005588	http://orders.frontierssi.com/fssionline32/public/product.aspx?cat=650005588&type=hts
MedChem Express	HY-14425	https://www.medchemexpress.com/search.html?q=HY-14425&ft=&fa=&fp=
Molnova	M15621	https://www.molnova.com/en/serch-list.html?keywords=M15621
MolPort	MolPort-001-841-938	https://www.molport.com/shop/molecule-link/MolPort-001-841-938
MuseChem	R006718	https://www.musechem.com/product/R006718.html
Toronto Research Chemicals	A628913	https://www.trc-canada.com/product-detail/?CatNum=A628913
Toronto Research Chemicals	H615100	https://www.trc-canada.com/product-detail/?CatNum=H615100
Wonderchem	WD06KQ6	http://www.wonder-chem.com/search.html?text=WD06KQ6

PubMed

Title	Date	PubMed
Treatment with a novel topical nanoemulsion (NB-001) speeds time to healing of recurrent cold sores.	2012-08	22859243

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 Created by `admin` on `Mon Mar 31 21:59:15 GMT 2025` Edited by `admin` on `Mon Mar 31 21:59:15 GMT 2025`
Record UNII	J89QT81NBQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HTS-09836

Preferred Name

English

Peturadol

Official Name

English

NB-001

Common Name

English

NB001

Code

English

peturadol [INN]

Common Name

English

1-PENTANOL, 5-((2-(6-AMINO-9H-PURIN-9-YL)ETHYL)AMINO)-

Systematic Name

English

Code System Code Type Description

DRUG BANK

DB12716