847553-89-3
中文名稱
SHA 68
英文名稱
SHA 68
CAS
847553-89-3
分子式
C26H24FN3O3
分子量
445.49
MOL 文件
847553-89-3.mol
更新日期
2024/07/18 14:38:07
847553-89-3 結(jié)構(gòu)式
基本信息
中文別名
N-(4-氟芐基)-3-氧代-1,1-二苯基四氫-1H-惡唑并[3,4-A]吡嗪-7(3H)-羧酰胺 英文別名
SHA 68N-(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-
物理化學(xué)性質(zhì)
沸點(diǎn)727.8±60.0 °C(Predicted)
密度1.35±0.1 g/cm3(Predicted)
儲(chǔ)存條件-20°C儲(chǔ)存
溶解度DMF: 16 mg/ml; DMSO: 14 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.33 mg/ml
酸度系數(shù)(pKa)13.32±0.40(Predicted)
形態(tài)結(jié)晶固體
顏色White to off-white
常見(jiàn)問(wèn)題列表
生物活性
SHA 68 是一種有效的選擇性非肽神經(jīng)肽 S 受體 (NPSR) 拮抗劑，對(duì) NPSR Asn107 和 NPSR Ile107 的 IC50 分別為 22.0 和 23.8 nM。SHA 68 具有有限的血腦屏障 (BBB) 滲透能力和用于神經(jīng)痛的活性。靶點(diǎn)
IC50: 22 nM (Asn 107 ) and 23.8 nM (Ile 107 )
體內(nèi)研究
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. |