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

20 Drugs in Development

20 Drugs in Development

DIGITAL CONTENT

26 NEWS #PharmaBuzz

media
26 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

20DRUGS 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: 1655504-04-3, Icp-022, Orelabrutinib [inn], Orelabrutinib [usan], Wja5uo9e10, Icp022

Molecular Formula

C₂₆H₂₅N₃O₃

Molecular Weight

427.5 g/mol

InChI Key

MZPVEMOYADUARK-UHFFFAOYSA-N

FDA UNII

WJA5UO9E10

Orelabrutinib is a small molecule inhibitor of Bruton's tyrosine kinase (BTK; Bruton agammaglobulinemia tyrosine kinase) with potential antineoplastic activity. Upon administration, orelabrutinib binds to and inhibits the activity of BTK. This prevents both the activation of the B-cell antigen receptor (BCR) signaling pathway and BTK-mediated activation of downstream survival pathways, inhibiting the growth of malignant B-cells that overexpress BTK. BTK, a member of the Src-related BTK/Tec family of cytoplasmic tyrosine kinases, is overexpressed or mutated in B-cell malignancies; it plays an important role in the development, activation, signaling, proliferation and survival of B-lymphocytes.

1 2D Structure

Orelabrutinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-phenoxyphenyl)-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide

2.1.2 InChI

InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)

2.1.3 InChI Key

MZPVEMOYADUARK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CC(=O)N1CCC(CC1)C2=NC(=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC4=CC=CC=C4

2.2 Other Identifiers

2.2.1 UNII

WJA5UO9E10

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1655504-04-3

2. Icp-022

3. Orelabrutinib [inn]

4. Orelabrutinib [usan]

5. Wja5uo9e10

6. Icp022

7. 6-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)-3-pyridinecarboxamide

8. 6-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)nicotinamide

9. 2-(4-phenoxyphenyl)-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide

10. 3-pyridinecarboxamide, 6-(1-(1-oxo-2-propen-1-yl)-4-piperidinyl)-2-(4-phenoxyphenyl)-

11. 6-(1-(1-oxo-2-propen-1-yl)-4-piperidinyl)-2-(4-phenoxyphenyl)-3-pyridinecarboxamide

12. Innobruka

13. Unii-wja5uo9e10

14. Orelabrutinib [who-dd]

15. Chembl4650321

16. Schembl16597834

17. Us9951056, Example 3

18. Gtpl10629

19. Icp-022icp-022

20. Bdbm389631

21. Ex-a3442

22. Nsc826039

23. S9600

24. Who 11190

25. Nsc-826039

26. Example 3 [wo2015048662a2]

27. Ac-36680

28. Db-091042

29. Hy-129390

30. Cs-0105163

2.4 Create Date

2015-04-13

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₅N₃O₃
Molecular Weight	427.5 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	427.18959167 g/mol
Monoisotopic Mass	427.18959167 g/mol
Topological Polar Surface Area	85.5 Å²
Heavy Atom Count	32
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