E7016 - Moligand™, ≥98% , PARP 1, 2 and 3 inhibitor, CAS No.902128-92-1, PARP 1, 2 and 3 inhibitor

CAS: 902128-92-1 Cat. No.: E649935 Molecular Weight: 349.38 PubChem CID: 11660296
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
E 7016 [WHO-DD] | E7016 cpd | M8926C7ILX | US8470825, 4i | E-7016 | GPI 21016 | E 7016 | 1005412-29-2 | GPI-21016 | MS-25392 | 902128-92-1 | SCHEMBL1319757 | EX-A6808
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
E649935-1mg
5
$125.90
5mg
E649935-5mg
2
$326.90
10mg
E649935-10mg
2
$554.90
25mg
E649935-25mg
1
$1,108.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

E7016 (GPI 21016) is an orally available PARP inhibitor. E7016 can enhance tumor cell radiosensitivity in vitro and in vivo through the inhibition of DNA repair. E7016 acts as a potential anticancer agent

In Vitro

E7016 can enhance tumor cell radiosensitivity through the inhibition of DNA repair. E7016 (3 μM)-mediated radiosensitization occurs through an increase in the number of cells undergoing mitotic catastrophe and not an increase in the number of cells undergoing apoptosis. E7016 inhibits PARP by mimicking NAD +. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Apoptosis AnalysisCell Line: The U251 human glioblastoma cell line Concentration: 3 μM Incubation Time: 6 hours prior to irradiation and were stained at 24 and 72 h postirradiation Result: The number of cells in mitotic catastrophe was significantly greater in the E7016-treated irradiated cells than in cells that received radiation only at 24 hours postirradiation.

In Vivo

E7016 has antitumor efficacy in murine xenograft studies . Administration of E7016 (40 mg/kg; oral gavage) to mice bearing U251 xenografts enhances the effectiveness of the Temozolomide/radiation combination . Mice treated with E7016/irradiation/Temozolomide have an additional growth delay of six days compared with the combination of Temozolomide and irradiation in vivo . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Four- to six-week-old female nude miceDosage: 40 mg/kg Administration: Oral gavage Result: E7016 enhanced the radiation/Temozolomide (3 mg/kg orally)-induced tumor growth delay of U251 xenografts.

Form:Solid

IC50& Target:PARP

Specifications

Synonyms
E 7016 [WHO-DD] | E7016 cpd | M8926C7ILX | US8470825, 4i | E-7016 | GPI 21016 | E 7016 | 1005412-29-2 | GPI-21016 | MS-25392 | 902128-92-1 | SCHEMBL1319757 | EX-A6808
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
E7016 (GPI 21016) is an orally available PARP inhibitor. E7016 can enhance tumor cell radiosensitivity in vitro and in vivo through the inhibition of DNA repair. E7016 acts as a potential anticancer agent.
Storage
Protected from light, Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
PARP 1, 2 and 3 inhibitor
Purity
≥98%
Product Properties
ALogP2
Names and Identifiers
Pubchem Sid528764329
Canonical SmilesC1CN(CCC1O)CC2=CC3=C(C=C2)OC4=CC=CC5=C4C3=NNC5=O
IUPAC Name4-[(4-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
InChIKeyHAVFFEMDLROBGI-UHFFFAOYSA-N
INCHI1S/C20H19N3O3/c24-13-6-8-23(9-7-13)11-12-4-5-16-15(10-12)19-18-14(20(25)22-21-19)2-1-3-17(18)26-16/h1-5,10,13,24H,6-9,11H2,(H,22,25)
Isomeric SMILES C1CN(CCC1O)CC2=CC3=C(C=C2)OC4=CC=CC5=C4C3=NNC5=O
PubChem CID 11660296
Molecular Weight 349.38

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzopyrans
Subclass1-benzopyrans
Intermediate Tree Nodes Dibenzopyrans
Direct ParentXanthenes
Alternative Parents Phthalazinones  Pyridazinones  Aralkylamines  Piperidines  Benzenoids  Heteroaromatic compounds  Trialkylamines  Secondary alcohols  Lactams  Oxacyclic compounds  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Xanthene - Phthalazinone - Phthalazine - Pyridazinone - Aralkylamine - Piperidine - Pyridazine - Benzenoid - Heteroaromatic compound - Lactam - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PARP1 Tclin Poly [ADP-ribose] polymerase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FMO3 Tbio Dimethylaniline monooxygenase [N-oxide-forming] 3 (9 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FMO5 Tbio Dimethylaniline monooxygenase [N-oxide-forming] 5 (13 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Liver microsome (341 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
G2524398Certificate of AnalysisFeb 18, 2025 E649935
G2524399Certificate of AnalysisFeb 18, 2025 E649935
G2524400Certificate of AnalysisFeb 18, 2025 E649935
G2524401Certificate of AnalysisFeb 18, 2025 E649935
Chemical and Physical Properties
SolubilityDMSO : 25 mg/mL (71.56 mM; ultrasonic and warming and heat to 60°C)
Sensitivitylight sensitive
Molecular Weight349.400 g/mol
XLogP32.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass349.143 Da
Monoisotopic Mass349.143 Da
Topological Polar Surface Area74.200 Ų
Heavy Atom Count26
Formal Charge0
Complexity587.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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