TK-453

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

Hodoodo CAT#: H130523

CAS#: 1801692-60-3

Description: TK-453 is a novel SHP2 allosteric inhibitor, possessing stronger affinity than SHP099, alleviating psoriasis-like skin inflammation in mice.

Chemical Structure

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TK-453
CAS# 1801692-60-3
Instruction

Theoretical Analysis

Hodoodo Cat#: H130523
Name: TK-453
CAS#: 1801692-60-3
Chemical Formula: C17H21Cl2N5S
Exact Mass: 397.09
Molecular Weight: 398.350
Elemental Analysis: C, 51.26; H, 5.31; Cl, 17.80; N, 17.58; S, 8.05

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: TK 453, TK453

IUPAC/Chemical Name: 6-(4-(Aminomethyl)-4-methylpiperidin-1-yl)-3-((2,3-dichlorophenyl)thio)pyrazin-2-amine

InChi Key: HFZSVNQUAOVFHI-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H21Cl2N5S/c1-17(10-20)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(18)14(12)19/h2-4,9H,5-8,10,20H2,1H3,(H2,21,23)

SMILES Code: NC1=NC(N2CCC(C)(CN)CC2)=CN=C1SC3=CC=CC(Cl)=C3Cl

Appearance: To be determined

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 398.35 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. Wang M, Li T, Ouyang Z, Tang K, Zhu Y, Song C, Sun H, Yu B, Ji X, Sun Y. SHP2 allosteric inhibitor TK-453 alleviates psoriasis-like skin inflammation in mice via inhibition of IL-23/Th17 axis. iScience. 2022 Mar 1;25(4):104009. doi: 10.1016/j.isci.2022.104009. PMID: 35310939; PMCID: PMC8927994.

2. Tang K, Zhao M, Wu YH, Wu Q, Wang S, Dong Y, Yu B, Song Y, Liu HM. Structure-based design, synthesis and biological evaluation of aminopyrazines as highly potent, selective, and cellularly active allosteric SHP2 inhibitors. Eur J Med Chem. 2022 Feb 15;230:114106. doi: 10.1016/j.ejmech.2022.114106. Epub 2022 Jan 12. PMID: 35063735.