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Chemistry

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Also known as: Pf-06700841, Pf-06700841 free base, Brepocitinib [usan], 1883299-62-4, 3x8387q25n, Brepocitinib (usan)
Molecular Formula
C18H21F2N7O
Molecular Weight
389.4  g/mol
InChI Key
BUWBRTXGQRBBHG-MJBXVCDLSA-N
FDA UNII
3X8387Q25N

Brepocitinib
Brepocitinib is an orally available, selective inhibitor of non-receptor tyrosine-protein kinase TYK2 (tyrosine kinase 2) and tyrosine-protein kinase JAK1 (Janus kinase 1; JAK1) with potential immunomodulatory and anti-inflammatory activities. Upon oral administration, brepocitinib selectively binds to and inhibits the activation of TYK2 and JAK1, thereby disrupting TYK2 and JAK-1-dependent cytokine signaling. This may reduce inflammatory responses and prevent inflammation-induced damage caused by certain immunological diseases. TYK2 and JAK-1 are members of the Janus kinase family of non-receptor tyrosine kinases and are involved in signaling pathways affecting hematopoiesis, immunity and inflammation.
1 2D Structure

Brepocitinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1S)-2,2-difluorocyclopropyl]-[(1R,5S)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
2.1.2 InChI
InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
2.1.3 InChI Key
BUWBRTXGQRBBHG-MJBXVCDLSA-N
2.1.4 Canonical SMILES
CN1C=C(C=N1)NC2=NC=CC(=N2)N3CC4CCC(C3)N4C(=O)C5CC5(F)F
2.1.5 Isomeric SMILES
CN1C=C(C=N1)NC2=NC=CC(=N2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F
2.2 Other Identifiers
2.2.1 UNII
3X8387Q25N
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Methanone, ((1s)-2,2-difluorocyclopropyl)(3-(2-((1-methyl-1h-pyrazol-4-yl)amino)-4-pyrimidinyl)-3,8-diazabicyclo(3.2.1)oct-8-yl)-

2. Pf-06700841

2.3.2 Depositor-Supplied Synonyms

1. Pf-06700841

2. Pf-06700841 Free Base

3. Brepocitinib [usan]

4. 1883299-62-4

5. 3x8387q25n

6. Brepocitinib (usan)

7. [(1s)-2,2-difluorocyclopropyl]-[(1s,5r)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

8. [(1s)-2,2-difluorocyclopropyl][(1r,5s)-3-{2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

9. Methanone, ((1s)-2,2-difluorocyclopropyl)(3-(2-((1-methyl-1h-pyrazol-4-yl)amino)-4-pyrimidinyl)-3,8-diazabicyclo(3.2.1)oct-8-yl)-

10. G4j

11. Brepocitinib [inn]

12. Brepocitinib [who-dd]

13. Chembl4297477

14. Schembl17512502

15. Unii-3x8387q25n

16. Us9663526, Example 7

17. Gtpl10459

18. Bdbm329924

19. Bcp29931

20. Who 11169

21. Zinc526061580

22. Db15003

23. Compound 23 [pmid: 30113844]

24. Ncgc00510805-01

25. Pf06700841

26. D11537

27. (1s)-2,2-difluorocyclopropyl)(3-(2-((1-methyl-1h-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo(3.2.1)octan-8-yl)methanone

28. [(1s)-2,2-difluorocyclopropyl]-[(1r,5s)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

2.4 Create Date
2016-04-09
3 Chemical and Physical Properties
Molecular Weight 389.4 g/mol
Molecular Formula C18H21F2N7O
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass389.17756464 g/mol
Monoisotopic Mass389.17756464 g/mol
Topological Polar Surface Area79.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Protein Kinase Inhibitors

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)


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ABOUT THIS PAGE

Looking for 1883299-62-4 / Brepocitinib API manufacturers, exporters & distributors?

Brepocitinib manufacturers, exporters & distributors 1

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

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Brepocitinib manufacturer or Brepocitinib supplier.

PharmaCompass also assists you with knowing the Brepocitinib API Price utilized in the formulation of products. Brepocitinib API Price is not always fixed or binding as the Brepocitinib Price is obtained through a variety of data sources. The Brepocitinib Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Brepocitinib

Synonyms

Pf-06700841, Pf-06700841 free base, Brepocitinib [usan], 1883299-62-4, 3x8387q25n, Brepocitinib (usan)

Cas Number

1883299-62-4

Unique Ingredient Identifier (UNII)

3X8387Q25N

About Brepocitinib

Brepocitinib is an orally available, selective inhibitor of non-receptor tyrosine-protein kinase TYK2 (tyrosine kinase 2) and tyrosine-protein kinase JAK1 (Janus kinase 1; JAK1) with potential immunomodulatory and anti-inflammatory activities. Upon oral administration, brepocitinib selectively binds to and inhibits the activation of TYK2 and JAK1, thereby disrupting TYK2 and JAK-1-dependent cytokine signaling. This may reduce inflammatory responses and prevent inflammation-induced damage caused by certain immunological diseases. TYK2 and JAK-1 are members of the Janus kinase family of non-receptor tyrosine kinases and are involved in signaling pathways affecting hematopoiesis, immunity and inflammation.

Brepocitinib Manufacturers

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

Brepocitinib Suppliers

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

Brepocitinib GMP

Brepocitinib 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 Brepocitinib 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 Brepocitinib GMP manufacturer or Brepocitinib GMP API supplier for your needs.

Brepocitinib CoA

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

Brepocitinib CoA mostly includes findings from lab analyses of a specific batch. For each Brepocitinib 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.

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