AZD-2461

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H22FN3O3
Molecular Weight	395.4268
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1CCN(CC1)C(=O)C2=CC(CC3=NNC(=O)C4=C3C=CC=C4)=CC=C2F

InChI

InChIKey=HYNBNUYQTQIHJK-UHFFFAOYSA-N

InChI=1S/C22H22FN3O3/c1-29-15-8-10-26(11-9-15)22(28)18-12-14(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(27)25-24-20/h2-7,12,15H,8-11,13H2,1H3,(H,25,27)

HIDE SMILES / InChI

Molecular Formula	C22H22FN3O3
Molecular Weight	395.4268
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/25337581 | https://clinicaltrials.gov/ct2/show/NCT01247168

AZD-2461 is an oral inhibitor of PARP-1, which was developed by AstraZeneca as a potential anti-cancer medicine. The drug was tested in phase I clinical patients against solid tumosr, but its development was discontinued.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Poly [ADP-ribose] polymerase 1 7 Target ID: P09874 Gene ID: 142.0 Gene Symbol: PARP1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/25337581	Inhibitor 8504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Solid tumors 147 Sources: https://clinicaltrials.gov/ct2/show/NCT01247168	Primary		Phase I 438	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY34550	https://www.001chemical.com/chem/search?q=DY34550
1PlusChem LLC	1P008TUE	https://www.1pchem.com/search?query=1P008TUE
Aceschem	ACF019958	https://www.aceschem.com/catalog/search.do?q=ACF019958
AK Scientific	Y0438	https://aksci.com/item_detail.php?cat=Y0438
ApexBio Technology	A4164	https://www.apexbt.com/catalogsearch/result/?q=A4164
AstaTech	40934	http://astatechinc.com/CPSResult.php?CRNO=40934
Axon MedChem	2241	https://www.axonmedchem.com/product/2241
BLD Pharm	BD351536	http://www.bldpharm.com/search/Search.html?keyword=BD351536
BOC Sciences	1174043-16-3	http://www.bocsci.com/description.asp?cas=1174043-16-3
Capot Chemical	34070	https://www.capotchem.com/search.do?q=34070
Cayman Chemical	16876	http://www.caymanchem.com/app/template/Product.vm/catalog/16876
Chem Scene	CS-1402	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-1402
ChemShuttle	136443	https://www.chemshuttle.com/catalogsearch/result/?q=136443
eMolecules	48881471	https://orderbb.emolecules.com/search/#?query=48881471
eMolecules	50524304	https://orderbb.emolecules.com/search/#?query=50524304
eNovation Chemicals	D548316	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D548316&searchbtn.x=0&searchbtn.y=0
Excenen	EX-A641	http://www.excenen.com/searchresultlist.php?id=EX-A641
Hairui	HR33108	http://www.hairuichem.com/en/product/search.do?q=HR33108
KeyOrganics	AS-55917	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-55917
Lab Network	LN01298269	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01298269
mcule	MCULE-2637937511	https://mcule.com/MCULE-2637937511/
MedChem Express	HY-13536	https://www.medchemexpress.com/search.html?q=HY-13536&ft=&fa=&fp=
Molcore	MC34550	http://www.molcore.com/CatMC34550.html
MolPort	MolPort-035-395-764	https://www.molport.com/shop/molecule-link/MolPort-035-395-764
MuseChem	I000622	https://www.musechem.com/product/I000622.html
Ryan Scientific	101-94197	https://ryansci.com/products?q=101-94197&list_q=&search_type=exact
Ryan Scientific	ARRY380	https://ryansci.com/products?q=ARRY380&list_q=&search_type=exact
Selleck Chemicals	S7029	http://www.selleckchem.com/search.html?searchDTO.searchParam=S7029
ShangHai Biochempartner	BCP000775	http://www.biochempartner.com/search_BCP000775
ShangHai Biochempartner	BCP07111	http://www.biochempartner.com/search_BCP07111
Toronto Research Chemicals	B429875	https://www.trc-canada.com/product-detail/?CatNum=B429875
Toronto Research Chemicals	F593650	https://www.trc-canada.com/product-detail/?CatNum=F593650

PubMed

Title	Date	PubMed
The PARP Inhibitor AZD2461 Provides Insights into the Role of PARP3 Inhibition for Both Synthetic Lethality and Tolerability with Chemotherapy in Preclinical Models.	2016-10-15	27550455
Loss of 53BP1 causes PARP inhibitor resistance in Brca1-mutated mouse mammary tumors.	2013-01	23103855

Patents

Sample Use Guides

In Vivo Use Guide

AZD-2461 is taken orally in form of capsules.

Route of Administration: Oral

In Vitro Use Guide

Human MCF-7 and SKBr-3 primary breast carcinoma cell lines were treated with AZD2461 at concentrations ranging from 5 uM to 50 uM for 48 and 72 hours. The drug inhibited the cells growth with IC50 values of 40.93 and 23.23 uM for MCF-7 cells and 26.77 and 14.94 uM for SKBr-3 cells at 48 and 72 hours, respectively.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:58:27 GMT 2025` Edited by `admin` on `Mon Mar 31 20:58:27 GMT 2025`
Record UNII	3K288XF5XJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AZD-2461

Code

English

AZD 2461 [WHO-DD]

Preferred Name

English

4-(4-FLUORO-3-((4-METHOXYPIPERIDIN-1-YL)CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE

Systematic Name

English

1(2H)-PHTHALAZINONE, 4-((4-FLUORO-3-((4-METHOXY-1-PIPERIDINYL)CARBONYL)PHENYL)METHYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

44199317