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Chemistry

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Also known as: 1801344-14-8, Emavusertib [inn], Mh5dmf9jky, Ca4948, Au-4948, (r)-n-(5-(3-hydroxypyrrolidin-1-yl)-2-morpholinooxazolo[4,5-b]pyridin-6-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide
Molecular Formula
C24H25N7O5
Molecular Weight
491.5  g/mol
InChI Key
SJHNWSAWWOAWJH-MRXNPFEDSA-N
FDA UNII
MH5DMF9JKY

Emavusertib
Emavusertib is an orally bioavailable, reversible inhibitor of interleukin-1 receptor-associated kinase 4 (IRAK4), with potential antineoplastic, immunomodulating and anti-inflammatory activities. Upon oral administration, emavusertib targets, binds to, and blocks the kinase activity of IRAK4. This inhibits IRAK4-mediated signaling, prevents the activation of IRAK4-mediated nuclear factor-kappa B (NF-kB) signaling and decreases the expression of inflammatory cytokines and certain pro-survival factors. This inhibits proliferation of IRAK4-overactivated tumor cells, which are found in cells harboring MYD88 activating mutations or those with overactivated toll-like receptor (TLR) pathways. In addition, CA-4948 may inhibit inflammation and immune-mediated cell destruction in inflammatory and auto-immune diseases where TLR or interleukin 1 receptor (IL-1R) signaling is overactivated and MYD88 is dysregulated. IRAK4, a serine/threonine-protein kinase that plays a key role in both the TLR and IL-1R signaling pathways, is activated though the adaptor protein MYD88 and links the TLR and IL-1R signaling pathway to the NF-kB pathway.
1 2D Structure

Emavusertib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide
2.1.2 InChI
InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
2.1.3 InChI Key
SJHNWSAWWOAWJH-MRXNPFEDSA-N
2.1.4 Canonical SMILES
CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CCC(C5)O)N=C(O4)N6CCOCC6
2.1.5 Isomeric SMILES
CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CC[C@H](C5)O)N=C(O4)N6CCOCC6
2.2 Other Identifiers
2.2.1 UNII
MH5DMF9JKY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1801344-14-8

2. Emavusertib [inn]

3. Mh5dmf9jky

4. Ca4948

5. Au-4948

6. (r)-n-(5-(3-hydroxypyrrolidin-1-yl)-2-morpholinooxazolo[4,5-b]pyridin-6-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide

7. Chembl4783351

8. 4-oxazolecarboxamide, N-[5-[(3r)-3-hydroxy-1-pyrrolidinyl]-2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-

9. N-[5-[(3r)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide

10. 2-(2-methylpyridin-4-yl)-n-[2-morpholin-4-yl-5-[(3r)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide

11. 4-oxazolecarboxamide, N-(5-((3r)-3-hydroxy-1-pyrrolidinyl)-2-(4-morpholinyl)oxazolo(4,5-b)pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-

12. N-(5-((3r)-3-hydroxy-1-pyrrolidinyl)-2-(4-morpholinyl)oxazolo(4,5-b)pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-4-oxazolecarboxamide

13. N-(5-((3r)-3-hydroxypyrrolidin-1-yl)-2-(morpholin-4- Yl)(1,3)oxazolo(4,5-b)pyridin-6-yl)-2-(2-methylpyridin-4- Yl)-1,3-oxazole-4-carboxamide

14. N-[5-[(3r)-3-hydroxy-1-pyrrolidinyl]-2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-4-oxazolecarboxamide

15. Emavusertib [usan]

16. Unii-mh5dmf9jky

17. Emavusertib(ca-4948)

18. Emavusertib (ca-4948)

19. Schembl16896638

20. Gtpl10152

21. Dtxsid001103300

22. Ex-a4736

23. Au4948

24. Bdbm50547964

25. Nsc824184

26. S9779

27. Who 11558

28. Nsc-824184

29. Compound 24 [pmid: 33335659]

30. Ac-36757

31. Hy-135317

32. Cs-0111301

33. A937061

34. Fj0

2.4 Create Date
2016-02-23
3 Chemical and Physical Properties
Molecular Weight 491.5 g/mol
Molecular Formula C24H25N7O5
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass491.19171692 g/mol
Monoisotopic Mass491.19171692 g/mol
Topological Polar Surface Area143 Ų
Heavy Atom Count36
Formal Charge0
Complexity773
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

Emavusertib Manufacturers

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

Emavusertib Suppliers

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

Emavusertib GMP

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

Emavusertib CoA

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

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

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