T5996207
T5996207 is a MyD88 inhibitor. T5996207 inhibits LPS-induced MyD88-mediated NF-κB-driven SEAP expression. T5996207 protects mice from lethal staphylococcal enterotoxin B-induced shock. T5996207 can be used for research on acute lung injury and toxic shock.
For research use only. We do not sell to patients.
- CAS No.: 950003-29-9
- Formula: C20H28N4O3S2
- Molecular Weight:436.59
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
T5996207 (IC50 = 40-50 μM) specifically inhibits MyD88-mediated NF-κB driven SEAP activity in HEK 293T cells by directly binding to the TIR domain[2].
T5996207 (5 million compounds) was identified as a MyD88 TIR inhibitor through in silico high-throughput screening of 5 million compounds followed by chemical similarity searching[4].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Chemical Information
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CAS No. 950003-29-9
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Molecular Weight 436.59
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Formula C20H28N4O3S2
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SMILES
O=C(NCC=1SC(=CC1)S(=O)(=O)N(CC)CC)N2CCN(C=3C=CC=CC3)CC2
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
[1]. Zhu L, et al. Design, Synthesis, and Biological Evaluation of a MyD88-Targeted Molecular Glue d21 for the Treatment of Acute Lung Injury. Journal of medicinal chemistry. 2026 Jun 25;69(12):14722-14740. [Content Brief]
[2]. Olson MA, et al. Discovery of small molecule inhibitors of MyD88-dependent signaling pathways using a computational screen. Scientific reports. 2015 Sep 18;5:14246. [Content Brief]
[3]. Chen P. Discovery of 3g as an Orally Bioavailable, TIR Domain Selective, and Potent MyD88 Inhibitor for the Treatment of Acute Lung Injury. Journal of Medicinal Chemistry. 2025 Sep 12;68(18):19626-44. [Content Brief]
[4]. Chen L. Myeloid differentiation primary response protein 88 (MyD88): the central hub of TLR/IL-1R signaling. Journal of medicinal chemistry. 2020 Sep 15;63(22):13316-29. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
T5996207 Related Classifications
HY-125480 Related Classifications
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