SIN44126 | CAS#1801344-12-6 | IRAK4 inhibitor

MedKoo Cat#: 555944 | Name: SIN44126

Description:

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

SIN44126 is a IRAK4 inhibitor, which was first described in patent WO 2015104688. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

SIN44126

CAS#1801344-12-6

Theoretical Analysis

MedKoo Cat#: 555944

Name: SIN44126

CAS#: 1801344-12-6

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
200mg	USD 1,850.00	2 Weeks
500mg	USD 2,850.00	2 Weeks
1g	USD 3,950.00	2 Weeks
2g	USD 6,450.00	2 Weeks

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Related CAS #

No Data

Synonym

SIN44126; SIN-44126; SIN 44126; CAS-4948; CAS4948; CAS 4948;

IUPAC/Chemical Name

(S)-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-INIZCTEOSA-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-/m0/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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

SIN44126 is a IRAK4 inhibitor.

In vitro activity:

To be determined

In vivo activity:

To be determined

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.

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:

To be determined

In vitro protocol:

To be determined

In vivo protocol:

To be determined

1: Von Roemeling CA, Doonan BP, Klippel K, Schultz D, Hoang-Minh L, Trivedi V, Li C, Russell RA, Kanumuri RS, Sharma A, Tun HW, Mitchell DA. Oral IRAK-4 Inhibitor CA-4948 Is Blood-Brain Barrier Penetrant and Has Single-Agent Activity against CNS Lymphoma and Melanoma Brain Metastases. Clin Cancer Res. 2023 May 1;29(9):1751-1762. doi: 10.1158/1078-0432.CCR-22-1682. PMID: 36749885; PMCID: PMC10150246. 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: Laranjeira ABA, Kong T, Snyder SC, Fulbright MC, Fisher DAC, Starczynowski DT, Oh ST. In vivo ablation of NF-κB cascade effectors alleviates disease burden in myeloproliferative neoplasms. Blood. 2024 Jun 6;143(23):2414-2424. doi: 10.1182/blood.2023022804. PMID: 38457657; PMCID: PMC11175964. 4: Choudhary GS, Pellagatti A, Agianian B, Smith MA, Bhagat TD, Gordon-Mitchell S, Sahu S, Pandey S, Shah N, Aluri S, Aggarwal R, Aminov S, Schwartz L, Steeples V, Booher RN, Ramachandra M, Samson M, Carbajal M, Pradhan K, Bowman TV, Pillai MM, Will B, Wickrema A, Shastri A, Bradley RK, Martell RE, Steidl UG, Gavathiotis E, Boultwood J, Starczynowski DT, Verma A. Activation of targetable inflammatory immune signaling is seen in myelodysplastic syndromes with SF3B1 mutations. Elife. 2022 Aug 30;11:e78136. doi: 10.7554/eLife.78136. PMID: 36040792; PMCID: PMC9427103. 5: 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. Erratum in: J Hematol Oncol. 2022 Jul 26;15(1):100. doi: 10.1186/s13045-022-01321-4. PMID: 35606824; PMCID: PMC9128118.