MedKoo Cat#: 535191 | Name: Edralbrutinib

Description:

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

Edralbrutinib, also known as TG-1701, is a Bruton's tyrosine kinase inhibitor. Antitumor Activity of TG-1701 Is Associated with Disruption of Ikaros Signaling in Patients with B-cell Non-Hodgkin Lymphoma. TG-1701 is as active as ibrutinib but with improved selectivity. TG-1701, in contrast to ibrutinib, does not block neither ublituximab-driven ADCC nor ADCP in vitro. In vivo xenograft studies suggested that TG-1701 synergized with ublituximab and umbralisib. Part of the mechanism is related to the pro-immune interleukin signature and infiltration of NK cells in the tumor.

Chemical Structure

Edralbrutinib
Edralbrutinib
CAS#1858206-58-2

Theoretical Analysis

MedKoo Cat#: 535191

Name: Edralbrutinib

CAS#: 1858206-58-2

Chemical Formula: C26H21F2N5O3

Exact Mass: 489.1612

Molecular Weight: 489.48

Elemental Analysis: C, 63.80; H, 4.32; F, 7.76; N, 14.31; O, 9.81

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Edralbrutinib; TG-1701; TG 1701; TG1701;
IUPAC/Chemical Name
4-amino-1-[(3R)-1-(but-2-ynoyl)pyrrolidin-3-yl]-3-[4-(2,6-difluorophenoxy)phenyl]-1,6-dihydro-7Hpyrrolo[2,3-d]pyridazin-7-one
InChi Key
DNPOFZXZJJDQLB-MRXNPFEDSA-N
InChi Code
InChI=1S/C26H21F2N5O3/c1-2-4-21(34)32-12-11-16(13-32)33-14-18(22-23(33)26(35)31-30-25(22)29)15-7-9-17(10-8-15)36-24-19(27)5-3-6-20(24)28/h3,5-10,14,16H,11-13H2,1H3,(H2,29,30)(H,31,35)/t16-/m1/s1
SMILES Code
O=C1C(N([C@H]2CN(C(C#CC)=O)CC2)C=C3C4=CC=C(OC5=C(F)C=CC=C5F)C=C4)=C3C(N)=NN1
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

Preparing Stock Solutions

The following data is based on the product molecular weight 489.48 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
Ribeiro ML, Reyes-Garau D, Vinyoles M, Profitós Pelejà N, Santos JC, Armengol M, Fernández-Serrano M, Sedó Mor A, Bech-Serra JJ, Blecua P, Musulen E, De La Torre C, Miskin H, Esteller M, Bosch F, Menéndez P, Normant E, Roué G. Antitumor Activity of the Novel BTK Inhibitor TG-1701 Is Associated with Disruption of Ikaros Signaling in Patients with B-cell Non-Hodgkin Lymphoma. Clin Cancer Res. 2021 Dec 1;27(23):6591-6601. doi: 10.1158/1078-0432.CCR-21-1067. Epub 2021 Sep 22. PMID: 34551904.