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Emricasan

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 254750-02-2, Idn-6556, Pf-03491390, Pf 03491390, (s)-3-((s)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid, Idn 6556

Molecular Formula

C₂₆H₂₇F₄N₃O₇

Molecular Weight

569.5 g/mol

InChI Key

SCVHJVCATBPIHN-SJCJKPOMSA-N

FDA UNII

P0GMS9N47Q

Emricasan is the first caspase inhibitor tested in human which has received orphan drug status by FDA. It is developed by Pfizer and made in such a way that it protects liver cells from excessive apoptosis.

1 2D Structure

Emricasan

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

2.1.2 InChI

InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1

2.1.3 InChI Key

SCVHJVCATBPIHN-SJCJKPOMSA-N

2.1.4 Canonical SMILES

CC(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C

2.1.5 Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C

2.2 Other Identifiers

2.2.1 UNII

P0GMS9N47Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(2-(2-tert-butylphenylaminooxalyl)aminopropionylamino)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic Acid

2. Idn 6556

3. Idn-6556

4. Idn6556

5. Pf 03491390

6. Pf-03491390

7. Pf03491390

2.3.2 Depositor-Supplied Synonyms

1. 254750-02-2

2. Idn-6556

3. Pf-03491390

4. Pf 03491390

5. (s)-3-((s)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic Acid

6. Idn 6556

7. (s)-3-((s)-2-(2-((2-(tert-butyl)phenyl)amino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic Acid

8. Vay785

9. Vay-785

10. P0gms9n47q

11. (3s)-3-[[(2s)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic Acid

12. L-alaninamide, N-(2-(1,1-dimethylethyl)phenyl)-2-oxoglycyl-n-((1s)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl)-

13. Emricasan [usan]

14. Emricasan [usan:inn]

15. Unii-p0gms9n47q

16. C26h27f4n3o7

17. Emricasan [inn]

18. Emricasan(idn6556)

19. Emricasan (usan/inn)

20. Emricasan [who-dd]

21. Chembl197672

22. Gtpl6508

23. Schembl3288801

24. Dtxsid10180160

25. Amy36447

26. Bcp07463

27. Ex-a1659

28. Bdbm50461533

29. S7775

30. Zinc14191207

31. Akos016009462

32. Ccg-270089

33. Cs-0599

34. Db05408

35. Ncgc00346477-01

36. Ac-31507

37. As-75073

38. Hy-10396

39. Pf03491390

40. Emricasan(idn6556,pf03491390)

41. J3.566.323a

42. D10004

43. Emricasan (idn-6556, Pf-03491390)

44. A857136

45. Q27077178

46. (3s)-3-((2s)-2-((n-(2-tert-butyl)phenyl)carbamoyl)carbonylamino) Propanoylamino)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic Acid

47. (3s)-3-(n2-((2-tert-butylphenyl)oxamoyl)-l-alaninamido)-4-oxo-5-(2,3,5,6- Tetrafluorophenoxy)pentanoic Acid

48. (3s)-3-(n2-((2-tert-butylphenyl)oxamoyl)-l-alaninamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic Acid

49. (3s)-3-[(2s)-2-{[(2-tert-butylphenyl)carbamoyl]formamido}propanamido]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic Acid

50. (3s)-3-[[(2s)-2-[[2-(2-tert-butylanilino)-2-oxo-acetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic Acid

51. (3s)-3-[[(2s)-2-[[2-[(2-tert-butylphenyl)amino]-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic Acid

52. (s)-3-((s)-2-(2-((2-(tert-butyl)phenyl)amino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoicacid

2.4 Create Date

2007-02-05

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₇F₄N₃O₇
Molecular Weight	569.5 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Exact Mass	569.17851286 g/mol
Monoisotopic Mass	569.17851286 g/mol
Topological Polar Surface Area	151 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	934
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

Investigated for use/treatment in hepatitis (viral, C), liver disease, and transplantation (organ or tissue).

Treatment of non-alcoholic steatohepatitis (NASH)

5 Pharmacology and Biochemistry

5.1 Mechanism of Action

IDN-6556 significantly improves markers of liver damage in patients infected with the Hepatitis C virus (HCV), an infection that affects up to 170m patients worldwide. IDN-6556 represents a new class of drugs that protect the liver from inflammation and cellular damage induced by viral infections and other causes. Various studies have also shown that it significantly lowers aminotransferase activity in HCV patients and appeared to be well tolerated.

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Emricasan Manufacturers

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

Emricasan Suppliers

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

Emricasan GMP

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

Emricasan CoA

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

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

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