DASANTAFIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28BrN5O5
Molecular Weight	522.392
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN1C(=O)N(CCO)C2=C(N(CC3=CC(Br)=C(OC)C=C3)C(N[C@@H]4CCC[C@H]4O)=N2)C1=O

InChI

InChIKey=RCJYGWGQCPDYSL-HZPDHXFCSA-N

InChI=1S/C22H28BrN5O5/c1-3-26-20(31)18-19(27(9-10-29)22(26)32)25-21(24-15-5-4-6-16(15)30)28(18)12-13-7-8-17(33-2)14(23)11-13/h7-8,11,15-16,29-30H,3-6,9-10,12H2,1-2H3,(H,24,25)/t15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28BrN5O5
Molecular Weight	522.392
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: Fischer, J. and Ganellin, R.C. (2010) 'Analogue-based Drug Discovery II', p.148 Retrieved from https://books.google.ru/books?id=h2Kd8ci4Ln8C
Curator's Comment: description was created based on several sources, including: https://www.pharmacodia.com/yaodu/html/v1/chemicals/4b58db5ec33af76c6d9b968cf2c633b1.html | http://adisinsight.springer.com/drugs/800018967

Schering published xanthine PDE5 inhibitors with amino substituents in the imidazole 2-position, such as Dasantafil. Dasantafil, also known as SCH-446132, is a PDE5A inhibitor potentially for the treatment of erectile dysfunction. It had been in phase II clinical trials but there is no report for this compound recently.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Phosphodiesterase 5A 30 Target ID: CHEMBL1827 Sources: https://encrypted.google.com/patents/US20020169174 \| https://www.pharmacodia.com/yaodu/html/v1/chemicals/4b58db5ec33af76c6d9b968cf2c633b1.html	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Erectile dysfunction 35 Sources: https://www.pharmacodia.com/yaodu/html/v1/chemicals/4b58db5ec33af76c6d9b968cf2c633b1.html	Primary		Phase II 1132	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
BOC Sciences	569351-91-3	http://www.bocsci.com/description.asp?cas=569351-91-3
Compound Cloud	9871410
MuseChem	I006387	https://www.musechem.com/product/I006387.html

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:47:23 UTC 2023` Edited by `admin` on `Sat Dec 16 16:47:23 UTC 2023`
Record UNII	48P711MI2G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DASANTAFIL

Official Name

English

1H-PURINE-2,6-DIONE, 7-((3-BROMO-4-METHOXYPHENYL)METHYL)-1-ETHYL-3,7-DIHYDRO-8-(((1R,2R)-2-HYDROXYCYCLOPENTYL)AMINO)-3-(2-HYDROXYETHYL)

Common Name

English

SCH446132

Code

English

DASANTAFIL [USAN]

Common Name

English

SCH-446132

Code

English

dasantafil [INN]

Common Name

English

7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-[[(1R,2R)-2-hydroxycyclopentyl]amino]-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione

Systematic Name

English

Dasantafil [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2127

Created by admin on Sat Dec 16 16:47:24 UTC 2023 , Edited by admin on Sat Dec 16 16:47:24 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL2107326

Created by admin on Sat Dec 16 16:47:23 UTC 2023 , Edited by admin on Sat Dec 16 16:47:23 UTC 2023

PRIMARY

PUBCHEM

9871410

Created by admin on Sat Dec 16 16:47:24 UTC 2023 , Edited by admin on Sat Dec 16 16:47:24 UTC 2023

PRIMARY

SMS_ID

300000034103

Created by admin on Sat Dec 16 16:47:24 UTC 2023 , Edited by admin on Sat Dec 16 16:47:24 UTC 2023

PRIMARY

NCI_THESAURUS

C76888

Created by admin on Sat Dec 16 16:47:24 UTC 2023 , Edited by admin on Sat Dec 16 16:47:24 UTC 2023

PRIMARY

INN

8485

Created by admin on Sat Dec 16 16:47:23 UTC 2023 , Edited by admin on Sat Dec 16 16:47:23 UTC 2023

PRIMARY

CAS

569351-91-3

Created by admin on Sat Dec 16 16:47:23 UTC 2023 , Edited by admin on Sat Dec 16 16:47:23 UTC 2023

PRIMARY

USAN

PP-55

Created by admin on Sat Dec 16 16:47:24 UTC 2023 , Edited by admin on Sat Dec 16 16:47:24 UTC 2023

PRIMARY

FDA UNII

48P711MI2G

Created by admin on Sat Dec 16 16:47:23 UTC 2023 , Edited by admin on Sat Dec 16 16:47:23 UTC 2023

PRIMARY

EPA CompTox

DTXSID30205480

Created by admin on Sat Dec 16 16:47:23 UTC 2023 , Edited by admin on Sat Dec 16 16:47:23 UTC 2023

PRIMARY

Related Record Type Details


					KT6HT14BLU

PHOSPHODIESTERASE 5A, HUMAN

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					48P711MI2G

DASANTAFIL

ACTIVE MOIETY

Amount:

Details

SMILES

InChI

Originator

Approval Year

Targets

Conditions

Approved Use

Sourcing

Patents

Sample Use Guides