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Chemistry

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Also known as: 848259-27-8, Pemafibrate [inn], (r)-k-13675, K-13675, (r)-, (r)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy)propyl)amino)methyl)phenoxy)butanoic acid, Chembl247951

Molecular Formula

C₂₈H₃₀N₂O₆

Molecular Weight

490.5 g/mol

InChI Key

ZHKNLJLMDFQVHJ-RUZDIDTESA-N

FDA UNII

17VGG92R23

Pemafibrate is under investigation in clinical trial NCT03350165 (A Study of Pemafibrate in Patients With Nonalcoholic Fatty Liver Disease (NAFLD)).

1 2D Structure

Pemafibrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid

2.1.2 InChI

InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1

2.1.3 InChI Key

ZHKNLJLMDFQVHJ-RUZDIDTESA-N

2.1.4 Canonical SMILES

CCC(C(=O)O)OC1=CC=CC(=C1)CN(CCCOC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4O3

2.1.5 Isomeric SMILES

CC[C@H](C(=O)O)OC1=CC=CC(=C1)CN(CCCOC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4O3

2.2 Other Identifiers

2.2.1 UNII

17VGG92R23

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (r)-2-(3-((benzoxazol-2-yl-d4 (3-(4-methoxyphenoxy-d7)propyl)amino)methyl)phenoxy) Butanoic Acid

2. K 13675

3. K-13675

4. K-13675-d11

5. K-13675-d7

6. K13675

2.3.2 Depositor-Supplied Synonyms

1. 848259-27-8

2. Pemafibrate [inn]

3. (r)-k-13675

4. K-13675, (r)-

5. (r)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy)propyl)amino)methyl)phenoxy)butanoic Acid

6. Chembl247951

7. Cas#848259-27-8

8. 17vgg92r23

9. Pemafibrate (jan)

10. Pemafibrate [jan]

11. (2r)-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic Acid

12. (2~{r})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic Acid

13. Unii-17vgg92r23

14. Parmodia (tn)

15. P7f

16. Pemafibrate [mi]

17. K-877

18. (r)-k 13675

19. Pemafibrate [who-dd]

20. Schembl2766188

21. Dtxsid00233891

22. Glxc-25532

23. Bcp20864

24. Ex-a1919

25. Yib25927

26. Bdbm50214899

27. Cs-6084

28. Db15212

29. Ac-36249

30. Hy-17618

31. D10711

32. A914970

33. (r)-k-13675(r)-k-13675

34. Q27251943

35. K-877; (r)-k 13675; Cs-2768

36. K-877; K877; K 877; (r)-k 13675; (r)-k13675; (r)k-13675

37. (r)-2-(3-((n-(benzoxazol-2-yl)-n-(3-(4-methoxyphenoxy)propyl)amino)methyl)phenoxy)butanoic Acid

38. (r)-2-[3-[n-(benzoxazol-2-yl)-n-(3-(4-methoxyphenoxy)propyl)aminomethyl]phenoxy]butyric Acid

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₀N₂O₆
Molecular Weight	490.5 g/mol
XLogP3	6.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	490.21038668 g/mol
Monoisotopic Mass	490.21038668 g/mol
Topological Polar Surface Area	94.3 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	658
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Prevention of cardiovascular events in patients with elevated triglycerides levels, Treatment of hypertriglyceridaemia

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01

Metrochem API Private Limited

India

Pharmtech & Ingredients

Exhibiting

Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

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India

Virtual Booth

Digital Content

Pemafibrate

About the Company :

Established in 2004, Metrochem API is one of the fastest-growing APIs, pellets & intermediates manufacturers. It has 6 dedicated manufacturing facilities for its 3 core product ...

Established in 2004, Metrochem API is one of the fastest-growing APIs, pellets & intermediates manufacturers. It has 6 dedicated manufacturing facilities for its 3 core product groups and has been approved by ISO 9001-2015, USFDA, WHO GMP, Cofepris & Japanese authorities. Metrochem’s in-depth industry knowledge, & hi-tech & advanced infrastructure, helps it provide quality products to its customers. Note: None of the products will be supplied to the countries where this could conflict with existing patents. Further, any products under patent will be offered for R&D purposes only. However, the final responsibility lies with the buyer

02

Ami Lifesciences Private Limited

India

CPhI India 2024

Booth #1.C02

AMI Lifesciences is Driven by Chemistry. Powered by People.

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India

Virtual Booth

Digital Content

Pemafibrate

About the Company : Ami Lifesciences, established in 2006, is one of the fastest growing API manufacturing companies in India. Specializing in cardiovascular, anti-diabetic, CNS, and respiratory thera...

Ami Lifesciences, established in 2006, is one of the fastest growing API manufacturing companies in India. Specializing in cardiovascular, anti-diabetic, CNS, and respiratory therapeutic areas, Ami offers a wide range of APIs, intermediates, key starting materials, as well as contract bulk manufacturing services. Ami's manufacturing units in Gujarat and Karnataka feature dedicated clean rooms for APIs and adhere to international standards like EU-GMP, WHO-GMP, PMDA, and COFEPRIS. Ami serves as a reliable partner for contract development and manufacturing, offering generic APIs to global pharma companies across more than 60 countries.