EB-47

CAT: 0931-T11143-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T11143-03Size:1 mL - 10 mM (in DMSO)

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

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CAS Number

366454-36-6

Target

PARP

Related Pathways

DNA Damage/DNA Repair, Chromatin/Epigenetic

Purity

0.9986

Bioactivity

EB-47 mimics the substrate NAD+ and extends from the nicotinamide to the adenosine subsite.EB-47, a potent and selective PARP-1/ARTD-1 inhibitor with an IC50 value of 45 nM, shows modest potency against ARTD5 with an IC50 value of 410 nM.

Smiles

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](C(=O)N4CCN(CC(NC5=C6C(C(=O)NC6)=CC=C5)=O)CC4)[C@H]1O

Molecular Formula

C24H27N9O6

Molecular Weight

537.53

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-[4-[(2R,3R,4S,5S)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]piperazin-1-yl]-N-(1-oxo-2,3-dihydroisoindol-4-yl)acetamide

CAS Number	366454-36-6
PubChem CID	53229989
IUPAC Name	2-[4-[(2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]piperazin-1-yl]-N-(1-oxo-2,3-dihydroisoindol-4-yl)acetamide
Molecular Formula	C24H27N9O6
Molecular Weight	537.5
XLogP	-2.2
Topological Polar Surface Area	201
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	39
Formal Charge	0
Complexity	951

SMILES

C1CN(CCN1CC(=O)NC2=CC=CC3=C2CNC3=O)C(=O)[C@H]4[C@@H]([C@@H]([C@H](O4)N5C=NC6=C(N=CN=C65)N)O)O

InChI

InChI=1S/C24H27N9O6/c25-20-16-21(28-10-27-20)33(11-29-16)24-18(36)17(35)19(39-24)23(38)32-6-4-31(5-7-32)9-15(34)30-14-3-1-2-12-13(14)8-26-22(12)37/h1-3,10-11,17-19,24,35-36H,4-9H2,(H,26,37)(H,30,34)(H2,25,27,28)/t17-,18+,19-,24+/m1/s1

InChIKey

DDFLFKTXUWPNMV-LFALDJFMSA-N

Chemical Structure

2D Structure

CAS: 366454-36-6

CID: 53229989

Formula: C24H27N9O6

MW: 537.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	537.5
XLogP3	-2.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	537.20842962
Monoisotopic Mass	537.20842962
Topological Polar Surface Area	201 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	951
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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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T206944-01	EB-TCIP
T63170-01	EB-0156
TP2996-01	DOTA-EB-TATE
T88040-01	EB-PSMA-617
T67697-01	WDR5-47

Alternative Products

Catalog	Name
A4528-10	EB 47
MBS3614836-01	EB-47
sc-221574A	EB-47 dihydrochloride
A15374-100	EB 47 100mg
A15374-5	EB 47 5mg
TRC-E320302-25MG	EB 47-d8
A15374-50	EB 47 50mg
A15374-2	EB 47 2mg
HY-108631-01	EB-47 (dihydrochloride)
011031	EB 47 discontinued

EB-47

Chemical Information

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