TAK-020
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 465430

CAS#: 1627603-21-7

Description: 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.

Chemical Structure

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TAK-020
CAS# 1627603-21-7
Instruction

Theoretical Analysis

MedKoo Cat#: 465430
Name: TAK-020
CAS#: 1627603-21-7
Chemical Formula: C18H17N5O3
Exact Mass: 351.13
Molecular Weight: 351.366
Elemental Analysis: C, 61.53; H, 4.88; N, 19.93; O, 13.66

Price and Availability

Size Price Availability Quantity
5mg USD 750 2 Weeks
10mg USD 1250 2 Weeks
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Synonym: TAK-020; TAK020; TAK 020;

IUPAC/Chemical Name: (S)-5-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

InChi Key: HIMUHMBGRATXMK-LBPRGKRZSA-N

InChi Code: 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

SMILES Code: O=C1NN=C(C2=CC3=C(C(O[C@@H]4CN(C(C=C)=O)CC4)=N2)C=CC=C3)N1

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

Product Data:
Product Data
Instruction:
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Preparing Stock Solutions

The following data is based on the product molecular weight 351.366000000000000000000000000000 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

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1: 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. 2: 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.