TAK-041
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MedKoo CAT#: 465558

CAS#: 1929519-13-0

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

Chemical Structure

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TAK-041
CAS# 1929519-13-0
Instruction

Theoretical Analysis

MedKoo Cat#: 465558
Name: TAK-041
CAS#: 1929519-13-0
Chemical Formula: C18H15F3N4O3
Exact Mass: 392.11
Molecular Weight: 392.338
Elemental Analysis: C, 55.11; H, 3.85; F, 14.53; N, 14.28; O, 12.23

Price and Availability

Size Price Availability Quantity
5mg USD 350 2 Weeks
10mg USD 550 2 Weeks
25mg USD 1150 2 Weeks
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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:

Biological target:
In vitro activity:
In vivo activity:

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.

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: 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.

2: 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.