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MedKoo Cat#: 462493 | Name: Emavusertib
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Emavusertib, also known as CA-4948 is a potent IRAK4/FLT3 inhibitor with anti-tumor activity. CA-4948 demonstrated good cellular activity in ABC DLBCL and AML cell lines. CA-4948 demonstrated moderate to high selectivity in a panel of 329 kinases as well as exhibited desirable ADME and PK profiles including good oral bioavailability in mice, rat, and dog and showed >90% tumor growth inhibition in relevant tumor models with excellent correlation with in vivo PD modulation.

Chemical Structure

Emavusertib
Emavusertib
CAS#1801344-14-8 (free base)

Theoretical Analysis

MedKoo Cat#: 462493

Name: Emavusertib

CAS#: 1801344-14-8 (free base)

Chemical Formula: C24H25N7O5

Exact Mass: 491.1917

Molecular Weight: 491.51

Elemental Analysis: C, 58.65; H, 5.13; N, 19.95; O, 16.28

Price and Availability

Size Price Availability Quantity
10mg USD 90.00 Ready to ship
25mg USD 150.00 Ready to ship
50mg USD 250.00 Ready to ship
100mg USD 450.00 Ready to ship
200mg USD 750.00 Ready to ship
500mg USD 1,650.00 Ready to Ship
1g USD 2,950.00 Ready to Ship
2g USD 5,250.00 Ready to Ship
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Related CAS #
2376399-39-0 (maleate) 1801344-14-8 (free base) 2376399-42-5 (HCl) 1801343-74-7 (CA4948-Analog) 2376399-40-3(mesylate) 2376399-41-4 (tosylate) 2376399-38-9 (phosphate)
Synonym
CA-4948; CA 4948; CA4948; Emavusertib
IUPAC/Chemical Name
(R)-N-(5-(3-hydroxypyrrolidin-1-yl)-2-morpholinooxazolo[4,5-b]pyridin-6-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide
InChi Key
SJHNWSAWWOAWJH-MRXNPFEDSA-N
InChi Code
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
SMILES Code
O=C(C1=COC(C2=CC(C)=NC=C2)=N1)NC3=C(N4C[C@H](O)CC4)N=C5C(OC(N6CCOCC6)=N5)=C3
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Biological target:
CA-4948 is a potent IRAK4/FLT3 inhibtor.
In vitro activity:
In CA-4948 in vitro experiments, pIRAK1 modulation was observed only at later time points. CA-4948 also exhibited good CYP inhibition profile (IC50 > 50 μM in CYP2C19 and <5% inhibition at 1 μM across CYP3A4, 2D6, 2C9, 2C8, 2B6, and 1A2). CA-4948 was not genotoxic in the in vitro bacterial mutagenesis assay and did not produce any biologically relevant clastogenicity changes in the in vivo micronucleus test in mice. Reference: ACS Med Chem Lett. 2020 Oct 14;11(12):2374-2381. https://pubmed.ncbi.nlm.nih.gov/33335659/
In vivo activity:
In vivo efficacy of CA-4948 was evaluated in an OCI-Ly3 xenograft model through oral route of administration in a once daily dosing regimen. A dose of 200 mg/kg q.d. showed partial tumor regression and a 100 mg/kg q.d. dose showed >90% tumor growth inhibition. The compound was well-tolerated, and there were no overt toxicities at these efficacious doses. Drug concentrations from plasma and tumors were determined at 2 h post final dose administration on day 15. CA-4948 treatment resulted in dose proportional increase in plasma and tumor exposures. Reference: ACS Med Chem Lett. 2020 Oct 14;11(12):2374-2381. https://pubmed.ncbi.nlm.nih.gov/33335659/
Solvent mg/mL mM
Solubility
DMSO 38.4 78.11
Ethanol 2.0 4.07
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 491.51 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Gummadi VR, Boruah A, Ainan BR, Vare BR, Manda S, Gondle HP, Kumar SN, Mukherjee S, Gore ST, Krishnamurthy NR, Marappan S, Nayak SS, Nellore K, Balasubramanian WR, Bhumireddy A, Giri S, Gopinath S, Samiulla DS, Daginakatte G, Basavaraju A, Chelur S, Eswarappa R, Belliappa C, Subramanya HS, Booher RN, Ramachandra M, Samajdar S. Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. ACS Med Chem Lett. 2020 Oct 14;11(12):2374-2381. doi: 10.1021/acsmedchemlett.0c00255. PMID: 33335659; PMCID: PMC7734642. 2. Zhang Y, Chen X, Wang H, Gordon-Mitchell S, Sahu S, Bhagat TD, Choudhary G, Aluri S, Pradhan K, Sahu P, Carbajal M, Zhang H, Agarwal B, Shastri A, Martell R, Starczynowski D, Steidl U, Maitra A, Verma A. Innate immune mediator, Interleukin-1 receptor accessory protein (IL1RAP), is expressed and pro-tumorigenic in pancreatic cancer. J Hematol Oncol. 2022 May 23;15(1):70. doi: 10.1186/s13045-022-01286-4. PMID: 35606824. 3. Xu J, Qian Q, Xia M, Wang X, Wang H. Trichlorocarban induces developmental and immune toxicity to zebrafish (Danio rerio) by targeting TLR4/MyD88/NF-κB signaling pathway. Environ Pollut. 2021 Jan 10;273:116479. doi: 10.1016/j.envpol.2021.116479. Epub ahead of print. PMID: 33460871.
In vitro protocol:
1. Gummadi VR, Boruah A, Ainan BR, Vare BR, Manda S, Gondle HP, Kumar SN, Mukherjee S, Gore ST, Krishnamurthy NR, Marappan S, Nayak SS, Nellore K, Balasubramanian WR, Bhumireddy A, Giri S, Gopinath S, Samiulla DS, Daginakatte G, Basavaraju A, Chelur S, Eswarappa R, Belliappa C, Subramanya HS, Booher RN, Ramachandra M, Samajdar S. Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. ACS Med Chem Lett. 2020 Oct 14;11(12):2374-2381. doi: 10.1021/acsmedchemlett.0c00255. PMID: 33335659; PMCID: PMC7734642. 2. Zhang Y, Chen X, Wang H, Gordon-Mitchell S, Sahu S, Bhagat TD, Choudhary G, Aluri S, Pradhan K, Sahu P, Carbajal M, Zhang H, Agarwal B, Shastri A, Martell R, Starczynowski D, Steidl U, Maitra A, Verma A. Innate immune mediator, Interleukin-1 receptor accessory protein (IL1RAP), is expressed and pro-tumorigenic in pancreatic cancer. J Hematol Oncol. 2022 May 23;15(1):70. doi: 10.1186/s13045-022-01286-4. PMID: 35606824.
In vivo protocol:
1. Gummadi VR, Boruah A, Ainan BR, Vare BR, Manda S, Gondle HP, Kumar SN, Mukherjee S, Gore ST, Krishnamurthy NR, Marappan S, Nayak SS, Nellore K, Balasubramanian WR, Bhumireddy A, Giri S, Gopinath S, Samiulla DS, Daginakatte G, Basavaraju A, Chelur S, Eswarappa R, Belliappa C, Subramanya HS, Booher RN, Ramachandra M, Samajdar S. Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. ACS Med Chem Lett. 2020 Oct 14;11(12):2374-2381. doi: 10.1021/acsmedchemlett.0c00255. PMID: 33335659; PMCID: PMC7734642. 2. Xu J, Qian Q, Xia M, Wang X, Wang H. Trichlorocarban induces developmental and immune toxicity to zebrafish (Danio rerio) by targeting TLR4/MyD88/NF-κB signaling pathway. Environ Pollut. 2021 Jan 10;273:116479. doi: 10.1016/j.envpol.2021.116479. Epub ahead of print. PMID: 33460871.
1: Xu J, Qian Q, Xia M, Wang X, Wang H. Trichlorocarban induces developmental and immune toxicity to zebrafish (Danio rerio) by targeting TLR4/MyD88/NF-κB signaling pathway. Environ Pollut. 2021 Jan 10;273:116479. doi: 10.1016/j.envpol.2021.116479. Epub ahead of print. PMID: 33460871. 2: Gummadi VR, Boruah A, Ainan BR, Vare BR, Manda S, Gondle HP, Kumar SN, Mukherjee S, Gore ST, Krishnamurthy NR, Marappan S, Nayak SS, Nellore K, Balasubramanian WR, Bhumireddy A, Giri S, Gopinath S, Samiulla DS, Daginakatte G, Basavaraju A, Chelur S, Eswarappa R, Belliappa C, Subramanya HS, Booher RN, Ramachandra M, Samajdar S. Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. ACS Med Chem Lett. 2020 Oct 14;11(12):2374-2381. doi: 10.1021/acsmedchemlett.0c00255. PMID: 33335659; PMCID: PMC7734642. 3: Wiese MD, Manning-Bennett AT, Abuhelwa AY. Investigational IRAK-4 inhibitors for the treatment of rheumatoid arthritis. Expert Opin Investig Drugs. 2020 May;29(5):475-482. doi: 10.1080/13543784.2020.1752660. Epub 2020 Apr 17. PMID: 32255710. 4: McElroy WT. Interleukin-1 receptor-associated kinase 4 (IRAK4) inhibitors: an updated patent review (2016-2018). Expert Opin Ther Pat. 2019 Apr;29(4):243-259. doi: 10.1080/13543776.2019.1597850. Epub 2019 Mar 29. PMID: 30916602.