2. Anti-infection
  3. Parasite
  4. NMT-IN-1

NMT-IN-1 is a Trypanosoma brucei N-myristoyltransferase (TbNMT) inhibitor, with an IC50 of 31 μM against TbNMT and an IC50 of 66 μM against hNMT. As a thiazolidinone hit compound identified via virtual screening, NMT-IN-1 exerts enzymatic inhibitory effects by binding to the active site of TbNMT. NMT-IN-1 adopts a binding mode distinct from that of pyrazole sulfonamide inhibitors and can inhibit the myristoyl transfer reaction catalyzed by TbNMT. NMT-IN-1 is mainly used in the research of anti-parasitic lead compounds for human African trypanosomiasis (African sleeping sickness). It provides a structural basis for the subsequent optimization of TbNMT inhibitors with high activity, high selectivity and blood-brain barrier permeability.

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NMT-IN-1

NMT-IN-1 Chemical Structure

CAS No. : 326879-46-3

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Based on 1 publication(s) in Google Scholar

NMT-IN-1 Related Antibodies

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Amebae Coccidia Leishmania Mite Plasmodium Toxoplasma Trypanosoma Schistosome

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Description

NMT-IN-1 is a Trypanosoma brucei N-myristoyltransferase (TbNMT) inhibitor, with an IC50 of 31 μM against TbNMT and an IC50 of 66 μM against hNMT. As a thiazolidinone hit compound identified via virtual screening, NMT-IN-1 exerts enzymatic inhibitory effects by binding to the active site of TbNMT. NMT-IN-1 adopts a binding mode distinct from that of pyrazole sulfonamide inhibitors and can inhibit the myristoyl transfer reaction catalyzed by TbNMT. NMT-IN-1 is mainly used in the research of anti-parasitic lead compounds for human African trypanosomiasis (African sleeping sickness). It provides a structural basis for the subsequent optimization of TbNMT inhibitors with high activity, high selectivity and blood-brain barrier permeability[1].

In Vitro

NMT-IN-1 (compound 9) binds to the active site of TbNMT via the T2 binding mode, with the S-enantiomer serving as the dominant binding conformation. NMT-IN-1‘s R1 -position 2-pyridyl group forms a hydrogen bond with Ser330, the thiazolidinone carbonyl forms a hydrogen bond with Asn376, and the R2 -position phenyl group extends into the hydrophobic peptide-binding groove; meanwhile, due to the removal of the 3-chloro substituent from NMT-IN-1, it loses the dominant selective inhibitory activity against TbNMT[1].

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

NMT-IN-1 Related Antibodies
Molecular Weight

270.35

Formula

C15H14N2OS
CAS No.
Appearance

Solid

Color

White to off-white

SMILES

O=C1N(CC2=NC=CC=C2)C(C3=CC=CC=C3)SC1
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

4°C, protect from light

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility
In Vitro: 

DMSO : 66.67 mg/mL (246.61 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 3.6989 mL 18.4945 mL 36.9891 mL
5 mM 0.7398 mL 3.6989 mL 7.3978 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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Purity & Documentation
References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 3.6989 mL 18.4945 mL 36.9891 mL 92.4727 mL
5 mM 0.7398 mL 3.6989 mL 7.3978 mL 18.4945 mL
10 mM 0.3699 mL 1.8495 mL 3.6989 mL 9.2473 mL
15 mM 0.2466 mL 1.2330 mL 2.4659 mL 6.1648 mL
20 mM 0.1849 mL 0.9247 mL 1.8495 mL 4.6236 mL
25 mM 0.1480 mL 0.7398 mL 1.4796 mL 3.6989 mL
30 mM 0.1233 mL 0.6165 mL 1.2330 mL 3.0824 mL
40 mM 0.0925 mL 0.4624 mL 0.9247 mL 2.3118 mL
50 mM 0.0740 mL 0.3699 mL 0.7398 mL 1.8495 mL
60 mM 0.0616 mL 0.3082 mL 0.6165 mL 1.5412 mL
80 mM 0.0462 mL 0.2312 mL 0.4624 mL 1.1559 mL
100 mM 0.0370 mL 0.1849 mL 0.3699 mL 0.9247 mL
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NMT-IN-1 Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

NMT-IN-1326879-46-3ParasiteTbNMTTrypanosoma bruceiN-myristoyltransferaseInhibitorinhibitorinhibit

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