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.
商品は「研究用試薬」です。人や動物の医療用・臨床診断用・食品用の製品ではありません。
研究用途以外に使用した場合、当社は一切の責任を負いかねます。
- 純度: 98.0%
- CAS 番号: 326879-46-3
- 分子式: C15H14N2OS
- 分子量:270.35
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保管条件:
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
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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生物活性
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化学情報
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溶剤 & 溶解度
- 純度とドキュメンテーション
- 参考文献
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Help & FAQs
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生物活性
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.
化学情報
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CAS 番号 326879-46-3
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性状 Solid
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分子量 270.35
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分子式 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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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
4°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
溶剤 & 溶解度
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.
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
純度とドキュメンテーション
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データシート (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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取扱説明書 (2659 KB)
参考文献
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 関連分類
HY-153021 関連分類
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