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 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Solid tumors 145 Sources: https://clinicaltrials.gov/ct2/show/NCT01247168	Primary		Phase I 428	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
AK Scientific	Y0438	https://aksci.com/item_detail.php?cat=Y0438
Aceschem	ACF019958	https://www.aceschem.com/catalog/search.do?q=ACF019958
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
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
MedChem Express	HY-13536	https://www.medchemexpress.com/search.html?q=HY-13536&ft=&fa=&fp=
MolPort	MolPort-035-395-764	https://www.molport.com/shop/molecule-link/MolPort-035-395-764
Molcore	MC34550	http://www.molcore.com/CatMC34550.html
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
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
mcule	MCULE-2637937511	https://mcule.com/MCULE-2637937511/

PubMed

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

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 `Sat Dec 16 01:42:05 UTC 2023` Edited by `admin` on `Sat Dec 16 01:42:05 UTC 2023`
Record UNII	3K288XF5XJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AZD-2461

Code

English

AZD 2461 [WHO-DD]

Common 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