SHA 68
| 中文名称 | SHA 68 |
|---|---|
| 中文同义词 | N-(4-氟苄基)-3-氧代-1,1-二苯基四氢-1H-恶唑并[3,4-A]吡嗪-7(3H)-羧酰胺;化合物SHA 68;SHA 68,神经肽S受体拮抗剂;N-(4-氟苄基)-3-氧代-1,1-二苯基四氢-3H-恶唑并[3,4-A]吡嗪-7(1H)-甲酰胺 |
| 英文名称 | SHA 68 |
| 英文同义词 | SHA 68;N-(4-fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide;N-[(4-Fluorophenyl)methyl]tetrahydro-3-oxo-1,1-diphenyl-3H-oxazolo[3,4-a]pyrazine-7(1H)-carboxamide;3H-Oxazolo[3,4-a]pyrazine-7(1H)-carboxamide, N-[(4-fluorophenyl)methyl]tetrahydro-3-oxo-1,1-diphenyl-;N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-3H-oxazolo[3,4-a]pyrazine-7(1H)-carboxamide;N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide |
| CAS号 | 847553-89-3 |
| 分子式 | C26H24FN3O3 |
| 分子量 | 445.49 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 847553-89-3.mol |
| 结构式 |  |
SHA 68 性质
| 沸点 | 727.8±60.0 °C(Predicted) |
|---|---|
| 密度 | 1.35±0.1 g/cm3(Predicted) |
| 储存条件 | Store at -20°C |
| 溶解度 | DMF：16 mg/ml； DMSO：14 mg/ml；乙醇：20 mg/ml；乙醇:PBS (pH 7.2)(1:2): 0.33 mg/ml |
| 形态 | 结晶固体 |
| 酸度系数(pKa) | 13.32±0.40(Predicted) |
| 颜色 | 白色至米白色 |
| InChI | InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31) |
| InChIKey | SFRQIPRTNYHJHP-UHFFFAOYSA-N |
| SMILES | C12C(C3=CC=CC=C3)(C3=CC=CC=C3)OC(=O)N1CCN(C(NCC1=CC=C(F)C=C1)=O)C2 |
SHA 68 是一种有效的选择性非肽神经肽 S 受体 (NPSR) 拮抗剂，对 NPSR Asn107 和 NPSR Ile107 的 IC50 分别为 22.0 和 23.8 nM。SHA 68 具有有限的血脑屏障 (BBB) 渗透能力和用于神经痛的活性。
IC50: 22 nM (Asn 107 ) and 23.8 nM (Ile 107 )
SHA 68 (i.p.; 5 and 50 mg/kg) reduces NPS-induced horizontal activity and vertical rearing and climbing.
SHA 68 (i.v.; 1 mg/kg) has a T
1/2
of 0.74 hours, a CL of 4.29 mL/min/kg, and a V
ss
of 2.53 L/kg.
SHA 68 (i.p.; 2.5 mg/kg) has a T
1/2
of 0.43 hours, a CL of 4.56 mL/min/kg.
| Animal Model: | Male C57BL/6 mice age 8-12 weeks |
| Dosage: | 5 and 50 mg/kg |
| Administration: | i.p. |
| Result: | Reduced NPS-induced horizontal activity and vertical rearing and climbing. |
| Animal Model: | Male C57BL/6 mice age 8-12 weeks |
| Dosage: | 1 mg/kg (Pharmacokinetic Analysis) |
| Administration: | i.p. |
| Result: | Had a T 1/2 of 0.74 hours, a CL of 4.29 mL/min/kg, and a V ss of 2.53 L/kg. |
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2025/12/22 | HY-108625 | SHA 68 | 847553-89-3 | 5 mg | 825元 |
| 2025/12/22 | HY-108625 | SHA 68 SHA 68 | 847553-89-3 | 10mM * 1mLin DMSO | 907元 |