AZD2461

CAT: 0421-27606-1Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0421-27606-1Size:5 mg

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Background

Unlike treatment with AZD 2281 (Olaparib, Axon 1464), AZD 2461 succesfully circumvents drug resistance of Pgp-proficient tumors, and inactivation of p53-binding protein 1 (53BP1) as a causal factor in PARPi resistance.

Description

AZD2461 is a novel PARP inhibitor with low affinity for than Olaparib. AZD2641 is currently in Phase I clinical studies to treat solid tumors.

CAS Number

1174043-16-3

Purity

≥ 98% by HPLC

Solubility

Soluble in DMSO

Molecular Formula

C22H22FN3O3

Shipping Conditions

Room Temperature (continental US) or Gel Packs

Storage Conditions

Store at or below –20°C. Solid form is stable at least 12 months from date of receipt, when stored as directed. Do not store aqueous solutions for more than one day.

Calculated Molecular Weight

395.4 Da

Chemical Information

Azd-2461

an inhibitor of poly(ADP-ribose) polymerase 1; structure in first source

CAS Number	1174043-16-3
PubChem CID	44199317
IUPAC Name	4-[[4-fluoro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
Molecular Formula	C22H22FN3O3
Molecular Weight	395.4
XLogP	2.6
Topological Polar Surface Area	71
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	647

SMILES

COC1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChI

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)

InChIKey

HYNBNUYQTQIHJK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1174043-16-3

CID: 44199317

Formula: C22H22FN3O3

MW: 395.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	395.4
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	395.16451973
Monoisotopic Mass	395.16451973
Topological Polar Surface Area	71 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	647
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
27003	AZD2281 (Olaparib)
27003-2	AZD2281 (Olaparib)
27003-1	AZD2281 (Olaparib)

Alternative Products

Catalog	Name
MBS575844	AZD2461

AZD2461

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