NMT-IN-1
Based on 1 Customer Validation
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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- Purity: 98.0%
- CAS No.: 326879-46-3
- 화학식: C15H14N2OS
- 분자량:270.35
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보관:
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
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Biological Activity
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Chemical Information
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용액&용해도
- 순도&문서
- References
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Help & FAQs
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Biological Activity
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.
Chemical Information
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CAS No. 326879-46-3
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Appearance Solid
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분자량 270.35
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화학식 C15H14N2OS
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Color White to off-white
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SMILES
O=C1N(CC2=NC=CC=C2)C(C3=CC=CC=C3)SC1
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선적
Room temperature in continental US; may vary elsewhere.
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보관
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
용액&용해도
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)
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.
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
순도&문서
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Data Sheet (276 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
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 |
NMT-IN-1 Related Classifications
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