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Synopsis

Synopsis

ACTIVE PHARMA INGREDIENTS

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JDMF

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Chemistry

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Also known as: 1448428-04-3, Gs-4997, Selonsertib [inn], 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-n-(6-(4-isopropyl-4h-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide, Selonsertib(gs-4997), 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-n-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]benzamide
Molecular Formula
C24H24FN7O
Molecular Weight
445.5  g/mol
InChI Key
YIDDLAAKOYYGJG-UHFFFAOYSA-N
FDA UNII
NS3988A2TC

Selonsertib
Selonsertib is an orally bioavailable inhibitor of apoptosis signal-regulating kinase 1 (ASK1), with potential anti-inflammatory, antineoplastic and anti-fibrotic activities. Upon oral administration, selonsertib targets and binds to the catalytic kinase domain of ASK1 in an ATP-competitive manner, thereby preventing its phosphorylation and activation. This prevents the phosphorylation of downstream kinases, such as c-Jun N-terminal kinases (JNKs) and p38 mitogen-activated protein kinase (p38 MAPK). By preventing the activation of ASK1-dependent signal transduction pathways, GS-4997 prevents the production of inflammatory cytokines, down-regulates the expression of genes involved in fibrosis, suppresses excessive apoptosis and inhibits cellular proliferation. ASK1, also called mitogen-activated protein kinase kinase kinase 5 (MAP3K5), is activated in response to oxidative and endoplasmic reticulum (ER) stress, calcium influx and infection. It plays a key role in the development of certain cardiovascular and neurodegenerative diseases, diabetes, as well as certain types of cancer.
1 2D Structure

Selonsertib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]benzamide
2.1.2 InChI
InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)
2.1.3 InChI Key
YIDDLAAKOYYGJG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C=C1N2C=C(N=C2)C3CC3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C(C)C)F
2.2 Other Identifiers
2.2.1 UNII
NS3988A2TC
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-n-(6-(4-isopropyl-4h-1,2,4-triazol-3-yl)-2-pyridinyl)-4-methylbenzamide

2. Benzamide, 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-(6-(4-(1-methylethyl)-4h-1,2,4-triazol-3-yl)-2-pyridinyl)-

2.3.2 Depositor-Supplied Synonyms

1. 1448428-04-3

2. Gs-4997

3. Selonsertib [inn]

4. 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-n-(6-(4-isopropyl-4h-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide

5. Selonsertib(gs-4997)

6. 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-n-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]benzamide

7. Gs 4997

8. Ns3988a2tc

9. 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide

10. Gs-4997; Gs4997; Gs 4997; Selonsertib Free Base ;5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-n-(6-(4-isopropyl-4h-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide

11. Unii-ns3988a2tc

12. 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-(6-(4-(propan-2-yl)-4h-1,2,4-triazol-3-yl)pyridin-2-yl)benzamide

13. Njv

14. Selonsertibgs-4997

15. Selonsertib [jan]

16. Gs-4997; Selonsertib

17. Selonsertib [usan:inn]

18. Selonsertib; Gs-4997

19. Selonsertib [usan]

20. Selonsertib (gs-4997)

21. Selonsertib [who-dd]

22. Selonsertib (jan/usan/inn)

23. C24h24fn7o

24. Gtpl9040

25. Chembl3916717

26. Schembl14672984

27. Amy27913

28. Bcp17814

29. Ex-a1150

30. Ex-a1618

31. Bdbm50212258

32. Gs4997

33. Mfcd29920355

34. Nsc797772

35. S8292

36. Akos027338646

37. Zinc149387856

38. Ccg-269184

39. Cs-5328

40. Db14916

41. Nsc-797772

42. Sb17466

43. Ncgc00479176-02

44. 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-n-(6-(4-isopropyl-4h-1,2,4-triazol-3-yl)-2-pyridinyl)-4-methylbenzamide

45. Ac-31493

46. As-35035

47. Benzamide, 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-(6-(4-(1-methylethyl)-4h-1,2,4-triazol-3-yl)-2-pyridinyl)-

48. Hy-18938

49. Selonsertib Hcl Salt, Gs-4997 Hcl Salt

50. D10988

51. A857921

52. Gs-4997; Gs4997; Gs 4997

53. Q27088777

54. 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-[6-[4-(1-methylethyl)-4h-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide

55. 5-(4-cyclopropyl-1h-imidazol-1-yl)-n-(6-(4-isopropyl-4h-1,2,4-triazol-3-yl)pyridin-2-yl)-2-fluoro-4-methylbenzamide

56. Benzamide, 5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-(6-(4-(1-methylethyl)-4h-1,2,4-triazol-3-yl)-2-pyridinyl)

2.4 Create Date
2013-03-21
3 Chemical and Physical Properties
Molecular Weight 445.5 g/mol
Molecular Formula C24H24FN7O
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass445.20263658 g/mol
Monoisotopic Mass445.20263658 g/mol
Topological Polar Surface Area90.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of non-alcoholic steatohepatitis (NASH)


5 Pharmacology and Biochemistry
5.1 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

Selonsertib Manufacturers

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

click here to find a list of Selonsertib manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Selonsertib Suppliers

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

click here to find a list of Selonsertib suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Selonsertib GMP

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

Selonsertib CoA

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

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

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