TAK-020 is potent BTK inhibitor (Bruton’s Tyrosine Kinase Inhibitor). TAK-020 displays PD and Efficacy in a Rat Model of Collagen-Induced Arthritis. TAK-020 is a covalent Btk inhibitor, which becomes the clinical candidate.

Product information

CAS Number: 1627603-21-7

Molecular Weight: 351.36

Formula: C18H17N5O3

Chemical Name: 3-(1-{[(3S)-1-(prop-2-enoyl)pyrrolidin-3-yl]oxy}isoquinolin-3-yl)-4, 5-dihydro-1H-1, 2, 4-triazol-5-one

Smiles: C=CC(=O)N1C[C@H](CC1)OC1=NC(=CC2=CC=CC=C21)C1NC(=O)NN=1

InChiKey: HIMUHMBGRATXMK-LBPRGKRZSA-N

InChi: InChI=1S/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: To be determined

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Esfandiari E, Chen M, Smithson G, Blair D, Faessel H, Wagner J, Mclean L, Fedyk ER. A Phase I, Randomized, Double-Blind, Placebo-Controlled, Single-Dose and Multiple-Rising-Dose Study of the BTK Inhibitor TAK-020 in Healthy Subjects. Clin Transl Sci. 2021 May;14(3):820-828. doi: 10.1111/cts.12871. Epub 2021 Mar 2. PMID: 33650758; PMCID: PMC8212709.
2. Sabat M, Dougan DR, Knight B, Lawson JD, Scorah N, Smith CR, Taylor ER, Vu P, Wyrick C, Wang H, Balakrishna D, Hixon M, Madakamutil L, McConn D. Discovery of the Bruton's Tyrosine Kinase Inhibitor Clinical Candidate TAK-020 (S)-5-( 1-((1-Acryloylpyrrolidin-3-yl)oxy)isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4- triazol-3-one, by Fragment-Based Drug Design. J Med Chem. 2021 Aug 27. doi: 10.1021/acs.jmedchem.1c01026. Epub ahead of print. PMID: 34448571.

Products are for research use only. Not for human use.