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Cat. No.: HY-175807

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ppGalNAc-T2-IN-1

ppGalNAc-T2-IN-1 is a polypeptide N-acetylgalactosaminyltransferase 2 (ppGalNAc-T2) inhibitor with an IC₅₀ of 7.11 μM. ppGalNAc-T2-IN-1 is applicable for research on metabolic and neurodevelopmental disorders.

For research use only. We do not sell to patients.

CAS No.: 1112431-86-3
Formula: C₂₂H₁₅N₃O₂S
Molecular Weight:385.44

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (267 KB)

ppGalNAc-T2-IN-1 Chemical Structure

CAS No.: 1112431-86-3

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- In Vitro
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

In Vitro

ppGalNAc-T2-IN-1 (Compound 15) potently inhibits purified ppGalNAc-T2 catalytic activity with an IC₅₀ of 7.11 μM^[1].
ppGalNAc-T2-IN-1 binds to all five metastable conformations (S1-S5) of ppGalNAc-T2, with the most favorable predicted binding affinity in state S2 (-8.68 kcal/mol), and mimics luteolin's binding mode in state S2 via π-π stacking and hydrogen bonding^[1].
ppGalNAc-T2-IN-1 stably binds to all five metastable conformations (S1-S5) of ppGalNAc-T2 over 500 ns MD simulations, with the most stable binding in state S2, and maintains critical interactions with I253, F361, and W282^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Chemical Information

CAS No. 1112431-86-3
Molecular Weight 385.44
Formula C₂₂H₁₅N₃O₂S
SMILES

N#CC1=C(SCCN2C(C3=C(C2=O)C=CC=C3)=O)N=C(C4=CC=CC=C4)C=C1
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (267 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Shi D, Luo X, Wang L, et al.. Discovery of small-molecule modulators of ppGalNAc-T2 targeting the metastable states during its loop-closing process. Bioorganic & medicinal chemistry letters. 2025 Dec 15;129:130373. [Content Brief]

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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