N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

• ChemBase编号: 154561
• 分子式: C19H19N5OS
• 平均质量: 365.45206
• 单一同位素质量: 365.13103125
• SMILES: c1ccc(cc1)c1nc(sn1)N1CCN(CC1)C(=O)Nc1ccccc1
• Canonical SMILES: O=C(N1CCN(CC1)c1snc(n1)c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)
• InChIKey: BHBOSTKQCZEAJM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
• IUPAC传统名: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
• 别名: JNJ-1661010; JNJ 1661010

登记号

• CAS号: 681136-29-8
• MDL号: MFCD00209157
• PubChem SID: 162248699
• PubChem CID: 2809273

理论计算性质

• Acid pKa: 13.408957
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 4.5779634
• LogD (pH = 7.4): 4.5780635
• Log P: 4.5780654
• 摩尔折射率: 115.8458 cm^3
• 极化性: 39.051086 Å^3
• 极化表面积: 61.36 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: ≥28 mg/mL
• 外观: solid

安全信息

• 德国WGK号: 1
• 保存温度: 2-8°C

药理学性质

• 作用靶点: FAAH

产品相关信息

• 纯度: ≥98% (HPLC)
• 成盐信息: Free Base
• Empirical Formula (Hill Notation): C19H19N5OS

详细说明

Sigma Aldrich - J3205

Biochem/physiol Actions
JNJ-1661010 is a potent and selective fatty acid amide hydrolase (FAAH) inhibitor with >100-fold preferentially selective for FAAH-1 over FAAH-2. FAAH in an integral membrane enzyme within the amidase-signature family. It catalyzes the hydrolysis of several endogenous biologically active lipids and involves in a variety of physiological and pathological processes, including synaptic regulation, regulation of sleep and feeding, locomotor activity, pain and inflammation.