(alphaS)-N-[(1S)-2-[[(5S)-4,5-Dihydro-3-methyl-4-oxo-3H-2,3-benzodiazepin-5-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-alpha-hydroxybenzeneacetamide (ALPHAS)-N-[(1S)-2-[[(5S)-4,5-二氢-3-甲基-4-氧代-3H-2,3-苯并二氮杂卓-5-基]氨基]-1-甲基-2-氧代乙基]-3,5-二氟-ALPHA-羟基苯乙酰胺
CAS 935525-13-6 MFCD035525136
化学结构图
SMILES: C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
化学属性
| Mol. Formula | C21H20F2N4O4 |
|---|---|
| Mol. Weight | 430.4 |
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | BMS-433796 |
|---|---|
| Chemical Name Translation | (ALPHAS)-N-[(1S)-2-[[(5S)-4,5-二氢-3-甲基-4-氧代-3H-2,3-苯并二氮杂卓-5-基]氨基]-1-甲基-2-氧代乙基]-3,5-二氟-ALPHA-羟基苯乙酰胺 |
| Chemicalbook ID | CB82614410 |
| Formula | C21H20F2N4O4 |
| Synonym | BMS433796; BMS-433796; BMS 433796. |
| IUPAC Name | (S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetamido)-N-((S)-3-methyl-4-oxo-4,5-dihydro-3H-benzo[d][1,2]diazepin-5-yl)propanamide |
| InChIKey | HXEHCCYOTHDPPI-NBHSMZAVSA-N |
| InChI | InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17-,18-/m0/s1 |
| Canonical SMILES | C[C@H](NC([C@H](C1=CC(F)=CC(F)=C1)O)=O)C(N[C@H]2C3=CC=CC=C3C=NN(C)C2=O)=O |
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产品应用
- BMS-433796 is a gamma-secretase inhibitor. BMS-433796 was identified with an acceptable pharmacodynamic and pharmacokinetic profile. Chronic dosing of BMS-433796 in Tg2576 mice suggested a narrow therapeutic window and Notch-mediated toxicity at higher doses. Reduction of brain beta-amyloid peptide (Abeta) synthesis by gamma-secretase inhibitors is a promising approach for the treatment of Alzheimer's disease.
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