TAK-041 | CAS#1929519-13-0 | GPR139 Agonist

MedKoo Cat#: 465558 | Name: TAK-041

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Description:

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

TAK-041 is a novel Potent and Selective GPR139 Agonist for the Treatment of Negative Symptoms Associated with Schizophrenia.

Chemical Structure

TAK-041

CAS#1929519-13-0

Theoretical Analysis

MedKoo Cat#: 465558

Name: TAK-041

CAS#: 1929519-13-0

Chemical Formula: C18H15F3N4O3

Exact Mass: 392.1096

Molecular Weight: 392.34

Elemental Analysis: C, 55.11; H, 3.85; F, 14.53; N, 14.28; O, 12.23

Price and Availability

Size	Price	Availability
5mg	USD 400.00	2 Weeks
10mg	USD 600.00	2 Weeks
25mg	USD 1,200.00	2 Weeks

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Related CAS #

No Data

Synonym

TAK-041; TAK041; TAK 041; NBI-1065846; NBI1065846; NBI 1065846; zelatriazin

IUPAC/Chemical Name

(S)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide

InChi Key

JZGLECLGVQRPPI-NSHDSACASA-N

InChi Code

InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1

SMILES Code

O=C(N[C@H](C1=CC=C(OC(F)(F)F)C=C1)C)CN2N=NC3=CC=CC=C3C2=O

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 392.34 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

1: Kamel A, Bowlin S, Hosea N, Arkilo D, Laurenza A. In Vitro Metabolism of Slowly Cleared G Protein-Coupled Receptor 139 Agonist TAK-041 Using Rat, Dog, Monkey, and Human Hepatocyte Models (HepatoPac): Correlation with In Vivo Metabolism. Drug Metab Dispos. 2021 Feb;49(2):121-132. doi: 10.1124/dmd.120.000246. Epub 2020 Dec 3. PMID: 33273044. 2: Reichard HA, Schiffer HH, Monenschein H, Atienza JM, Corbett G, Skaggs AW, Collia DR, Ray WJ, Serrats J, Bliesath J, Kaushal N, Lam BP, Amador-Arjona A, Rahbaek L, McConn DJ, Mulligan VJ, Brice N, Gaskin PLR, Cilia J, Hitchcock S. Discovery of TAK-041: a Potent and Selective GPR139 Agonist Explored for the Treatment of Negative Symptoms Associated with Schizophrenia. J Med Chem. 2021 Aug 12;64(15):11527-11542. doi: 10.1021/acs.jmedchem.1c00820. Epub 2021 Jul 14. PMID: 34260228. 3: Rabiner EA, Uz T, Mansur A, Brown T, Chen G, Wu J, Atienza J, Schwarz AJ, Yin W, Lewis Y, Searle GE, Dennison JMTJ, Passchier J, Gunn RN, Tauscher J. Endogenous dopamine release in the human brain as a pharmacodynamic biomarker: evaluation of the new GPR139 agonist TAK-041 with [11C]PHNO PET. Neuropsychopharmacology. 2022 Jun;47(7):1405-1412. doi: 10.1038/s41386-021-01204-1. Epub 2021 Oct 21. PMID: 34675381; PMCID: PMC9117280. 4: Yin W, Han D, Khudyakov P, Behrje R, Posener J, Laurenza A, Arkilo D. A phase 1 study to evaluate the safety, tolerability and pharmacokinetics of TAK-041 in healthy participants and patients with stable schizophrenia. Br J Clin Pharmacol. 2022 Aug;88(8):3872-3882. doi: 10.1111/bcp.15305. Epub 2022 Apr 17. PMID: 35277995; PMCID: PMC9544063. 5: Münster A, Sommer S, Kúkeľová D, Sigrist H, Koros E, Deiana S, Klinder K, Baader-Pagler T, Mayer-Wrangowski S, Ferger B, Bretschneider T, Pryce CR, Hauber W, von Heimendahl M. Effects of GPR139 agonism on effort expenditure for food reward in rodent models: Evidence for pro-motivational actions. Neuropharmacology. 2022 Aug 1;213:109078. doi: 10.1016/j.neuropharm.2022.109078. Epub 2022 May 10. PMID: 35561791. 6: Mao J, Cui Y, Wang H, Duan W, Liu ZJ, Hua T, Zhou N, Cheng J. Design and Synthesis of Novel GPR139 Agonists with Therapeutic Effects in Mouse Models of Social Interaction and Cognitive Impairment. J Med Chem. 2023 Oct 26;66(20):14011-14028. doi: 10.1021/acs.jmedchem.3c01034. Epub 2023 Oct 13. PMID: 37830160.