CEP-9722

CAT: 0931-T62196-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T62196-03Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

916574-83-9

Target

PARP

Related Pathways

DNA Damage/DNA Repair, Chromatin/Epigenetic

Purity

0.994

Bioactivity

CEP-9722 is an orally active, selective and potent inhibitor of poly (ADP-ribose) polymerase-1 PARP-1 and poly (ADP-ribose) polymerase-12 PARP-2, with anticancer activity, and can be used for the study of ovarian cancer.

Smiles

O=C1C2=C3C(NC=4C=CC=C(OC)C43)=C5C(=C2C(=O)N1CN6CCN(C)CC6)CCC5

Molecular Formula

C24H26N4O3

Molecular Weight

418.49

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cep-9722

CEP-9722 is under investigation in clinical trial NCT01345357 (Study of CEP-9722 in Combination With Gemcitabine and Cisplatin in Patients With Advanced Solid Tumors or Mantle Cell Lymphoma).

CAS Number	916574-83-9
PubChem CID	24780387
IUPAC Name	14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
Molecular Formula	C24H26N4O3
Molecular Weight	418.5
XLogP	3.1
Topological Polar Surface Area	68.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	31
Formal Charge	0
Complexity	738

SMILES

CN1CCN(CC1)CN2C(=O)C3=C(C2=O)C4=C(C5=C3CCC5)NC6=C4C(=CC=C6)OC

InChI

InChI=1S/C24H26N4O3/c1-26-9-11-27(12-10-26)13-28-23(29)18-14-5-3-6-15(14)22-20(21(18)24(28)30)19-16(25-22)7-4-8-17(19)31-2/h4,7-8,25H,3,5-6,9-13H2,1-2H3

InChIKey

CTLOSZHDGZLOQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 916574-83-9

CID: 24780387

Formula: C24H26N4O3

MW: 418.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	418.5
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	418.20049070
Monoisotopic Mass	418.20049070
Topological Polar Surface Area	68.9 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	738
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

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BUP13952-01	CEP-9722
8108/5	CEP
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CEP-9722

Chemical Information

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