7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1,2-dihydroquinolin-2-one

• ChemBase编号: 132505
• 分子式: C21H14ClNO3
• 平均质量: 363.79376
• 单一同位素质量: 363.06622099
• SMILES: c1ccc(cc1)Oc1cccc(c1)c1c(c2ccc(cc2[nH]c1=O)Cl)O
• Canonical SMILES: Clc1ccc2c(c1)[nH]c(=O)c(c2O)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)
• InChIKey: FLVRDMUHUXVRET-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1,2-dihydroquinolin-2-one
• IUPAC传统名: 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
• 别名: 7-Chloro-4-hydroxy-3-(3-phenoxy)phenylquinolin-2[1H]-one; L-701,324

登记号

• CAS号: 142326-59-8
• MDL号: MFCD00910917
• PubChem SID: 24278508; 162226782
• PubChem CID: 54682505

理论计算性质

• Acid pKa: 6.9545746
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 4.601051
• LogD (pH = 7.4): 4.0392966
• Log P: 4.616015
• 摩尔折射率: 102.6692 cm^3
• 极化性: 38.609936 Å^3
• 极化表面积: 58.56 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: soluble36.4 mg/mL
• 外观: solid

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 相关基因信息: human ... GRIN1(2902)rat ... Grin1(24408), Grin2a(24409)

产品相关信息

• 纯度: ≥98% (HPLC)

详细说明

Sigma Aldrich - L0258

Legal Information
Manufactured and sold under license from Merck, Sharp and Dohme, Ltd. U.S. Patent No. 5,348,962.
Biochem/physiol Actions
L-701,324 is a high affinity, selective antagonist at the glycine site of the NMDA glutamate receptor. L-701,324 is a potent, active anticonvulsant with a reduced propensity to activate mesolimbic dopaminergic systems in rodents.