AS-1517499

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H20ClN5O2
Molecular Weight	397.858
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)C1=CN=C(NCCC2=CC=C(O)C(Cl)=C2)N=C1NCC3=CC=CC=C3

InChI

InChIKey=OZRMEKAUZBKTTC-UHFFFAOYSA-N

InChI=1S/C20H20ClN5O2/c21-16-10-13(6-7-17(16)27)8-9-23-20-25-12-15(18(22)28)19(26-20)24-11-14-4-2-1-3-5-14/h1-7,10,12,27H,8-9,11H2,(H2,22,28)(H2,23,24,25,26)

HIDE SMILES / InChI

Molecular Formula	C20H20ClN5O2
Molecular Weight	397.858
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17071093
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/19202006

AS-1517499 is a potent and selective STAT6 inhibitor. AS1517499 ameliorates antigen-induced bronchial hypercontractility in mice.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Signal transducer and activator of transcription 6 1 Target ID: CHEMBL5401 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17071093	Inhibitor 8297		21.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Allergic asthma 6 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19202006	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
		252160633
Interleukin-4 upregulates RhoA protein via an activation of STAT6 in cultured human bronchial smooth muscle cells.	2010 Feb	19857574

Patents

Sample Use Guides

In Vivo Use Guide

Mice: Intraperitoneal injections, AS1517499 (10 mg/kg)

Route of Administration: Intraperitoneal

In Vitro Use Guide

AS-1517499 (100 nM) inhibited IL-13 induced phosphorylation of STAT6 and an up-regulation of RhoA in cultured human bronchial smooth muscle (BSM) cells

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:04:47 GMT 2023` Edited by `admin` on `Sat Dec 16 10:04:47 GMT 2023`
Record UNII	2H31HOT08T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AS-1517499

Common Name

English

AS-1571499

Code

English

5-PYRIMIDINECARBOXAMIDE, 2-((2-(3-CHLORO-4-HYDROXYPHENYL)ETHYL)AMINO)-4-((PHENYLMETHYL)AMINO)-

Systematic Name

English

Code System Code Type Description

FDA UNII

2H31HOT08T

Created by admin on Sat Dec 16 10:04:47 GMT 2023 , Edited by admin on Sat Dec 16 10:04:47 GMT 2023

PRIMARY

EPA CompTox

DTXSID30238798

Created by admin on Sat Dec 16 10:04:47 GMT 2023 , Edited by admin on Sat Dec 16 10:04:47 GMT 2023

PRIMARY

PUBCHEM

10340781

Created by admin on Sat Dec 16 10:04:47 GMT 2023 , Edited by admin on Sat Dec 16 10:04:47 GMT 2023

PRIMARY

CAS

919486-40-1

Created by admin on Sat Dec 16 10:04:47 GMT 2023 , Edited by admin on Sat Dec 16 10:04:47 GMT 2023

PRIMARY

Related Record Type Details


					2H31HOT08T

AS-1517499

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/17071093Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/19202006

Originator

Approval Year

Targets

Conditions

Approved Use

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17071093
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/19202006