1-[(3R)-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

• ChemBase编号: 154653
• 分子式: C24H24N4O
• 平均质量: 384.47356
• 单一同位素质量: 384.19501141
• SMILES: Cc1cccc(c1)NC(=O)N[C@H]1CN(c2ccccc2C(=N1)c1ccccc1)C
• Canonical SMILES: Cc1cccc(c1)NC(=O)N[C@H]1CN(C)c2c(C(=N1)c1ccccc1)cccc2
• InChI: InChI=1S/C24H24N4O/c1-17-9-8-12-19(15-17)25-24(29)27-22-16-28(2)21-14-7-6-13-20(21)23(26-22)18-10-4-3-5-11-18/h3-15,22H,16H2,1-2H3,(H2,25,27,29)/t22-/m0/s1
• InChIKey: LIVVMCBMGZZRRY-QFIPXVFZSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(3R)-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
• IUPAC传统名: 1-[(3R)-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
• 别名: N-[(3R)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N′-(3-methylphenyl)-urea; L-365260

登记号

• CAS号: 118101-09-0
• PubChem SID: 162248791
• PubChem CID: 71311927

理论计算性质

• Log P: 5.3743167
• 摩尔折射率: 118.3511 cm^3
• 极化性: 43.95266 Å^3
• 极化表面积: 56.73 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false
• Acid pKa: 13.403941
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.4030075
• LogD (pH = 7.4): 5.030254

分子性质

理化性质

• 溶解度: DMSO: >20 mg/mL
• 外观: solid

安全信息

• 保存条件: desiccated
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 危险公开号: 25-50/53
• 安全公开号: 45-60-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H400
• GHS警示性声明: P273-P301 + P310
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C24H22N4O2

详细说明

Sigma Aldrich - L4795

Biochem/physiol Actions
L-365260 is a CCK2 selective antagonist. Enhances amphetamine-induced stimulation of locomotor activity in rats (a model of drug abuse), inhibits thyroid carcinoma (TT)-cell proliferation (potential therapeutic implication for cancer treatment); bilateral injection into the medulla reverses both tactile allodynia and thermal hyperalgesia.