4-{[4-(morpholin-4-yl)butyl]sulfanyl}phenol

• ChemBase编号: 153275
• 分子式: C14H21NO2S
• 平均质量: 267.38704
• 单一同位素质量: 267.12929992
• SMILES: c1cc(ccc1O)SCCCCN1CCOCC1
• Canonical SMILES: Oc1ccc(cc1)SCCCCN1CCOCC1
• InChI: InChI=1S/C14H21NO2S/c16-13-3-5-14(6-4-13)18-12-2-1-7-15-8-10-17-11-9-15/h3-6,16H,1-2,7-12H2
• InChIKey: YHKNLUTUXZDOQI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{[4-(morpholin-4-yl)butyl]sulfanyl}phenol
• IUPAC传统名: 4-{[4-(morpholin-4-yl)butyl]sulfanyl}phenol
• 别名: 33N14; 4-(4-Morpholinobutylthio)phenol; MoTP

登记号

• CAS号: 57055-82-0
• MDL号: MFCD00642470
• PubChem SID: 162247414
• PubChem CID: 3096300

理论计算性质

• Acid pKa: 9.407041
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.7218366
• LogD (pH = 7.4): 2.2892082
• Log P: 2.5715861
• 摩尔折射率: 77.4506 cm^3
• 极化性: 30.196272 Å^3
• 极化表面积: 32.7 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: ≥80 mg/mL
• 外观: white to tan powder

安全信息

• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C14H21NO2S

详细说明

Sigma Aldrich - SML0047

Biochem/physiol Actions
MoTP (also known as 33N14) reversibly blocks the specification of neural crest cells into melanocytes in zebrafish studies. Differentiation of neural crest cell-derived melanoblasts proceeds to late developmental stages, but they fail to reach the terminal stage of melanin production and die. Melanocytotoxicity is dependent on tyrosinase activity which convert it into a toxic form. MoTP specifically ablates only cells that express tyrosinase at high levels, which in the embryo are limited to melanoblasts and newly formed melanocytes. MoTP should be a useful tool for elucidating melanocyte stem cell regeneration, recruitment, and maintenance.