10-(3-aminopropyl)-3,4-dimethyl-9,10-dihydroacridin-9-one; oxalic acid

• ChemBase编号: 154431
• 分子式: C20H22N2O5
• 平均质量: 370.39908
• 单一同位素质量: 370.15287181
• SMILES: Cc1ccc2c(c1C)n(c1ccccc1c2=O)CCCN.C(=O)(C(=O)O)O
• Canonical SMILES: OC(=O)C(=O)O.NCCCn1c2ccccc2c(=O)c2c1c(C)c(C)cc2
• InChI: InChI=1S/C18H20N2O.C2H2O4/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21;3-1(4)2(5)6/h3-4,6-9H,5,10-11,19H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: IIELZHYJYZBSGG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10-(3-aminopropyl)-3,4-dimethyl-9,10-dihydroacridin-9-one; oxalic acid
• IUPAC传统名: 10-(3-aminopropyl)-3,4-dimethylacridin-9-one; oxalic acid
• 别名: 10-(3-Aminopropyl)-3,4-dimethyl-9-acridone oxalate; ER-27319

登记号

• MDL号: MFCD07784502
• PubChem SID: 162248570; 24724472
• PubChem CID: 9799508

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.40160373
• LogD (pH = 7.4): 1.0883728
• Log P: 3.4127736
• 摩尔折射率: 86.856 cm^3
• 极化性: 32.992313 Å^3
• 极化表面积: 46.33 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: soluble28 mg/mL
• 外观: solid

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 21/22
• 安全公开号: 24/25
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302 + H312
• GHS警示性声明: P280
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C20H22N2O5

详细说明

Sigma Aldrich - E0656

Biochem/physiol Actions
Selective Syk inhibitor. Induces tyrosine phosphorylation of Syk that has been demonstrated as critical for degranulation.
ER-27319 inhibits Syk activation with an IC50 = 10 μM. ER-27319 inhibits Syk by preventing the phosphorylated ITAM domain of FcεRI γ from activating Syk. ER-27319 does NOT inhibit previously activated Syk.1