Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

15 Drugs in Development

15 Drugs in Development

DIGITAL CONTENT

7 NEWS #PharmaBuzz

media
7 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

15DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 1140964-99-3, E7449, E-7449, Stenoparib, Parp inhibitor 2x-121, Unii-9x5a2qia7c

Molecular Formula

C₁₈H₁₅N₅O

Molecular Weight

317.3 g/mol

InChI Key

JLFSBHQQXIAQEC-UHFFFAOYSA-N

FDA UNII

9X5A2QIA7C

PARP/Tankyrase Inhibitor 2X-121 is an orally available small molecule inhibitor of the nuclear enzymes poly (ADP-ribose) polymerase (PARP) 1 and 2, with potential antineoplastic activity. Upon administration, E7449 selectively binds to PARP 1 and 2, thereby preventing the repair of damaged DNA via the base excision repair (BER) pathway. This agent enhances the accumulation of single and double strand DNA breaks and promotes genomic instability eventually leading to apoptosis. PARP 1/2 inhibitor E7449 may enhance the cytotoxicity of DNA-damaging agents and of radiotherapy. PARP catalyzes post-translational ADP-ribosylation of nuclear proteins that signal and recruit other proteins to repair damaged DNA.

1 2D Structure

Stenoparib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8,11-pentaen-4-one

2.1.2 InChI

InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)

2.1.3 InChI Key

JLFSBHQQXIAQEC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3

2.2 Other Identifiers

2.2.1 UNII

9X5A2QIA7C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 8-(isoindolin-2-ylmethyl)-2,9-dihydro-3h-pyridazino(3,4,5-de)quinazolin-3-one

2. E-7449

3. E7449

4. Parp Inhibitor 2x-121

5. Stenoparib

2.3.2 Depositor-Supplied Synonyms

1. 1140964-99-3

2. E7449

3. E-7449

4. Stenoparib

5. Parp Inhibitor 2x-121

6. Unii-9x5a2qia7c

7. 9x5a2qia7c

8. Cid 25267262

9. 2x-121

10. 11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one

11. 3h-pyridazino(3,4,5-de)quinazolin-3-one, 8-((1,3-dihydro-2h-isoindol-2-yl)methyl)-1,2-dihydro-

12. Stenoparib [who-dd]

13. Schembl3886731

14. Chembl3644587

15. Schembl22023558

16. Bcp19934

17. Ex-a1282

18. Nsc783107

19. Nsc798215

20. S8419

21. Zinc59277233

22. Ccg-267668

23. Cs-3479

24. Nsc-783107

25. Nsc-798215

26. Sb16888

27. 8-(1,3-dihydro-isoindol-2-ylmethyl)-2,9-dihydro-1,2,7,9-tetraaza-phenalen-3-one

28. Ac-36842

29. Hy-12418

30. A909458

31. Q27273339

32. 8-(isoindolin-2-ylmethyl)-2,9-dihydro-3h-pyridazino[3,4,5-de]quinazolin-3-one

2.4 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₅N₅O
Molecular Weight	317.3 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	317.12766012 g/mol
Monoisotopic Mass	317.12766012 g/mol
Topological Polar Surface Area	69.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	586
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