1914971-16-6
中文名称
PHGDH-inactive
英文名称
PHGDH-inactive
CAS
1914971-16-6
分子式
C17H21N5S
分子量
327.45
MOL 文件
1914971-16-6.mol
更新日期
2023/06/30 11:21:09
1914971-16-6 结构式
基本信息
中文别名
化合物PHGDH-INACTIVE 英文别名
PHGDH-inactiveNCT-503 Inactive Control >=98% (HPLC)
N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-1-piperazinecarbothioamide
1-Piperazinecarbothioamide, N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-
物理化学性质
沸点497.9±55.0 °C(Predicted)
密度1.268±0.06 g/cm3(Predicted)
储存条件4°C, protect from light
溶解度DMF: 2 mg/mL; DMSO: 5 mg/mL; DMSO:PBS (pH 7.2)(1:5): 0.16 mg/mL
酸度系数(pKa)12.96±0.20(Predicted)
形态结晶固体
颜色white to beige
InChI1S/C17H21N5S/c1-13-11-14(2)19-16(12-13)20-17(23)22-9-7-21(8-10-22)15-3-5-18-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,23)
InChIKeyITLPIAAGIQAGRA-UHFFFAOYSA-N
SMILESCC1=CC(NC(N2CCN(C3=CC=NC=C3)CC2)=S)=NC(C)=C1
应用领域
用途一
PHGDH-inactive is an inactive analog of the 3-phosphoglycerate dehydrogenase (PHGDH) inhibitors NCT-502 and NCT-503. PHGDH-inactive is intended to serve as a negative control for NCT-502 and NCT-503.