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Chemistry

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Also known as: 1439901-97-9, Ono-4059 hydrochloride, Tirabrutinib hcl, Gs-4059 hydrochloride, Ono-4059(hcl salt), Ono-4059 (hydrochloride)
Molecular Formula
C25H23ClN6O3
Molecular Weight
490.9  g/mol
InChI Key
UQYDCIJFACDXSG-GMUIIQOCSA-N
FDA UNII
U374135N48

Tirabrutinib Hydrochloride
Tirabrutinib Hydrochloride is the hydrochloride salt form of tirabrutinib, an orally available formulation containing an inhibitor of Bruton agammaglobulinemia tyrosine kinase (BTK), with potential antineoplastic activity. Upon administration, tirabrutinib covalently binds to BTK within B cells, thereby preventing B cell receptor signaling and impeding B cell development. As a result, this agent may inhibit the proliferation of B cell malignancies. BTK, a cytoplasmic tyrosine kinase and member of the Tec family of kinases, plays an important role in B lymphocyte development, activation, signaling, proliferation and survival.
1 2D Structure

Tirabrutinib Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;hydrochloride
2.1.2 InChI
InChI=1S/C25H22N6O3.ClH/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19;/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);1H/t18-;/m1./s1
2.1.3 InChI Key
UQYDCIJFACDXSG-GMUIIQOCSA-N
2.1.4 Canonical SMILES
CC#CC(=O)N1CCC(C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N.Cl
2.1.5 Isomeric SMILES
CC#CC(=O)N1CC[C@H](C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N.Cl
2.2 Other Identifiers
2.2.1 UNII
U374135N48
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1439901-97-9

2. Ono-4059 Hydrochloride

3. Tirabrutinib Hcl

4. Gs-4059 Hydrochloride

5. Ono-4059(hcl Salt)

6. Ono-4059 (hydrochloride)

7. U374135n48

8. Tirabrutinib (hydrochloride)

9. 6-amino-9-[(3r)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;hydrochloride

10. Tirabrutinib Hydrochloride (jan)

11. Tirabrutinib Hydrochloride [jan]

12. (r)-6-amino-9-(1-(but-2-ynoyl)pyrrolidin-3-yl)-7-(4-phenoxyphenyl)-7h-purin-8(9h)-one Hydrochloride

13. Velexbru (tn)

14. Ono-4059 (gs-4059) Hydrochloride

15. Ono4059 Hydrochloride

16. Gs-4059 (hydrochloride)

17. Ono-4059 Hcl

18. Schembl16143622

19. Unii-u374135n48

20. Ex-a1275

21. Hy-15771a

22. Mfcd30187521

23. S8166

24. Akos030526538

25. Ccg-269621

26. Cs-5637

27. Ac-35380

28. Tirabrutinib Hydrochloride [who-dd]

29. D11070

30. F10061

31. A901181

32. Q27290633

33. (r)-6-amino-9-(1-(but-2-ynoyl)pyrrolidin-3-yl)-7-(4-phenoxyphenyl)-7,9-dihydro-8h-purin-8-one Hydrochloride;ono-4059 Hydrochloride

34. (r)-6-amino-9-(1-but-2-ynoylpyrrolidin-3-yl)-7-(4-phenoxyphenyl)-7h-purin-8(9h)-one Hcl Salt

2.4 Create Date
2013-06-24
3 Chemical and Physical Properties
Molecular Weight 490.9 g/mol
Molecular Formula C25H23ClN6O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area105
Heavy Atom Count35
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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ABOUT THIS PAGE

Tirabrutinib Hydrochloride Manufacturers

A Tirabrutinib Hydrochloride manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Tirabrutinib Hydrochloride, including repackagers and relabelers. The FDA regulates Tirabrutinib Hydrochloride manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Tirabrutinib Hydrochloride API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Tirabrutinib Hydrochloride Suppliers

A Tirabrutinib Hydrochloride supplier is an individual or a company that provides Tirabrutinib Hydrochloride active pharmaceutical ingredient (API) or Tirabrutinib Hydrochloride finished formulations upon request. The Tirabrutinib Hydrochloride suppliers may include Tirabrutinib Hydrochloride API manufacturers, exporters, distributors and traders.

Tirabrutinib Hydrochloride GMP

Tirabrutinib Hydrochloride Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Tirabrutinib Hydrochloride GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Tirabrutinib Hydrochloride GMP manufacturer or Tirabrutinib Hydrochloride GMP API supplier for your needs.

Tirabrutinib Hydrochloride CoA

A Tirabrutinib Hydrochloride CoA (Certificate of Analysis) is a formal document that attests to Tirabrutinib Hydrochloride's compliance with Tirabrutinib Hydrochloride specifications and serves as a tool for batch-level quality control.

Tirabrutinib Hydrochloride CoA mostly includes findings from lab analyses of a specific batch. For each Tirabrutinib Hydrochloride CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Tirabrutinib Hydrochloride may be tested according to a variety of international standards, such as European Pharmacopoeia (Tirabrutinib Hydrochloride EP), Tirabrutinib Hydrochloride JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Tirabrutinib Hydrochloride USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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