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Chemistry

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Also known as: 1218942-37-0, Gkt137831, Setanaxib, Gkt-137831, Gkt-831, Gkt831
Molecular Formula
C21H19ClN4O2
Molecular Weight
394.9  g/mol
InChI Key
RGYQPQARIQKJKH-UHFFFAOYSA-N
FDA UNII
45II35329V

Setanaxib
Setanaxib is an orally bioavailable inhibitor of the nicotinamide adenine dinucleotide phosphate (NADPH) oxidases (NOX) 1 and 4, with potential anti-inflammatory, anti-fibrotic and antineoplastic activities. Upon oral administration, setanaxib targets, binds to and inhibits the activity of NOX1 and NOX4. This inhibits NOX1- and NOX4- mediated signal transduction pathways, thereby reducing inflammation and fibrosis. By targeting NOX4-overexpressing cancer-associated fibroblasts (CAFs) in the tumor microenvironment (TME), setanaxib may also inhibit myofibroblastic activation and enhance both the penetration of tumor-infiltrating lymphocytes (TILs) and antitumor T-cell immune responses. The NOX enzymes NOX1 and NOX4 primarily produce reactive oxygen species (ROS), which plays important roles in cellular signaling processes that regulate cell proliferation, differentiation and migration, and inflammation and fibrosis.
1 2D Structure

Setanaxib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
2.1.2 InChI
InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3
2.1.3 InChI Key
RGYQPQARIQKJKH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C(=O)C=C2C(=C1C3=CC(=CC=C3)N(C)C)C(=O)N(N2)C4=CC=CC=C4Cl
2.2 Other Identifiers
2.2.1 UNII
45II35329V
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-(2-chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1h-pyrazolo(4,3-c)pyridine-3,6(2h,5h)-dione

2. Gkt-137831

3. Gkt-831

4. Gkt137831

5. Setanaxib

2.3.2 Depositor-Supplied Synonyms

1. 1218942-37-0

2. Gkt137831

3. Setanaxib

4. Gkt-137831

5. Gkt-831

6. Gkt831

7. 2-(2-chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1h-pyrazolo(4,3-c)pyridine-3,6(2h,5h)-dione

8. 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6-dione

9. 45ii35329v

10. 2-(2-chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1,2-dihydro-3h-pyrazolo[4,3-c]pyridine-3,6(5h)-dione

11. Unii-45ii35329v

12. 1h-pyrazolo(4,3-c)pyridine-3,6(2h,5h)-dione, 2-(2-chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-

13. 1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione, 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-

14. Gkt 137831

15. Setanaxib [inn]

16. Gtpl9932

17. Schembl1302603

18. Chembl4303187

19. Dtxsid30153432

20. Ex-a577

21. Bcp14159

22. Mfcd27923122

23. S7171

24. Zinc95670835

25. Akos022176138

26. Ccg-268595

27. Cs-3290

28. Sb19230

29. Ncgc00378460-05

30. Ncgc00378460-08

31. Ncgc00378460-09

32. Ac-33132

33. As-74753

34. Da-33605

35. Hy-12298

36. Ft-0700121

37. A14433

38. J-690070

39. Q27258840

40. 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1h,2h,3h,5h,6h-pyrazolo[4,3-c]pyridine-3,6-dione

41. 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methylpyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione

2.4 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 394.9 g/mol
Molecular Formula C21H19ClN4O2
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass394.1196536 g/mol
Monoisotopic Mass394.1196536 g/mol
Topological Polar Surface Area55.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity732
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Setanaxib Manufacturers

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

Setanaxib Suppliers

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

Setanaxib GMP

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

Setanaxib CoA

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

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

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