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Chemistry

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Also known as: 1262414-04-9, Act-334441, Cenerimod [inn], Cenerimod [usan], (s)-3-(4-(5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)propane-1,2-diol, Act334441
Molecular Formula
C25H31N3O5
Molecular Weight
453.5  g/mol
InChI Key
KJKKMMMRWISKRF-FQEVSTJZSA-N
FDA UNII
Y333RS1786

Cenerimod
Cenerimod has been used in trials studying the treatment of Systemic Lupus Erythematosus.
1 2D Structure

Cenerimod

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-3-[4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
2.1.2 InChI
InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1
2.1.3 InChI Key
KJKKMMMRWISKRF-FQEVSTJZSA-N
2.1.4 Canonical SMILES
CCC1=C(C(=CC(=C1)C2=NOC(=N2)C3=CC(=NC(=C3)OC)C4CCCC4)C)OCC(CO)O
2.1.5 Isomeric SMILES
CCC1=C(C(=CC(=C1)C2=NOC(=N2)C3=CC(=NC(=C3)OC)C4CCCC4)C)OC[C@H](CO)O
2.2 Other Identifiers
2.2.1 UNII
Y333RS1786
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (2s)-3-(4-(5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-1,2-propanediol

2.3.2 Depositor-Supplied Synonyms

1. 1262414-04-9

2. Act-334441

3. Cenerimod [inn]

4. Cenerimod [usan]

5. (s)-3-(4-(5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)propane-1,2-diol

6. Act334441

7. Y333rs1786

8. (s)-3-((4-(5-(2-cyclopentyl-6-methoxypyridin-4-yl)(1,2,4)oxadiazol-3-yl)-2-ethyl-6-methylphenyl)oxy)propane-1,2-diol

9. 1,2-propanediol, 3-(4-(5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-, (2s)-

10. (2~{s})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol

11. (2s)-3-[4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol

12. 1,2-propanediol, 3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-, (2s)-

13. Unii-y333rs1786

14. (2s)-3-(4-(5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)propane-1,2-diol

15. Cenerimod (usan/inn)

16. Cenerimod [usan:inn]

17. Cenerimod [who-dd]

18. Act-334441; Cenerimod

19. Gtpl9824

20. Schembl2671193

21. Chembl4297505

22. Ex-a2557

23. Mfcd30530772

24. Zinc167253016

25. Cs-6364

26. Db12705

27. Ac-36137

28. As-35045

29. Hy-17606

30. D11283

31. Q27294201

32. (2s)-3-(4-(5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-1,2-propanediol

33. Jer

2.4 Create Date
2011-02-22
3 Chemical and Physical Properties
Molecular Weight 453.5 g/mol
Molecular Formula C25H31N3O5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass453.22637110 g/mol
Monoisotopic Mass453.22637110 g/mol
Topological Polar Surface Area111 Ų
Heavy Atom Count33
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Cenerimod Manufacturers

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

Cenerimod Suppliers

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

Cenerimod GMP

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

Cenerimod CoA

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

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

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