144337-18-8 (1,1'-[5-[3,4-二氢-7-羟基-2-(4-羟基苯基)-2H-1-苯并吡喃-4-基]-2,4,6-三羟基-1,3-亚苯基]双[1-十二烷酮],YM-26734)

CAS号:
144337-18-8
中文名称:
1,1'-[5-[3,4-二氢-7-羟基-2-(4-羟基苯基)-2H-1-苯并吡喃-4-基]-2,4,6-三羟基-1,3-亚苯基]双[1-十二烷酮]
英文名称:
YM-26734
分子式:
C45H62O8
分子量:
730.968994617462
简介:
YM-26734 是分泌型磷脂酶 A2 (PLA2) 的竞争性抑制剂,对几种 PLA2 都具有广泛的抑制作用。

1,1'-[5-[3,4-二氢-7-羟基-2-(4-羟基苯基)-2H-1-苯并吡喃-4-基]-2,4,6-三羟基-1,3-亚苯基]双[1-十二烷酮](144337-18-8)名称与标识符

名称

中文别名:
1,1'-[5-[3,4-二氢-7-羟基-2-(4-羟基苯基)-2H-1-苯并吡喃-4-基]-2,4,6-三羟基-1,3-亚苯基]双[1-十二烷酮];
英文别名:
1-Dodecanone,1,1'-[5-[3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-;1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one;1-Dodecanone,1,1'-[5-[3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-tr...;YM 26734;YM-26734;1,1'-{2,4,6-Trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-1,3-phenylene}didodecan-1-one;1-Dodecanone, 1,1'-(5-(3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl)-2,4,6-trihydroxy-1,3-phenylene)bis-;4-(3,5-Didodecanoyl-2,4,6-trihydroxyphenyl)-7-hydroxy-2-(4-hydroxyphenyl)chr;1,1′-[5-[3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis1-dodecanone;YM26734;4-(3,5-Didodecanoyl-2,4,6-trihydroxyphenyl)-7-hydroxy-2-(4-hydroxyphenyl)chroman;1,1'-[5-[3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-1-dodecanone;1,1'-{2,4,6-Trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1,3-phenylene}di(dodecan-1-one);1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-yl]-phenyl}-dodecan-1-one;F90262;1,1'-(5-(3,4-DIHYDRO-7-HYDROXY-2-(4-HYDROXYPHENYL)-2H-1-BENZOPYRAN-4-YL)-2,4,6-TRIHYDROXY-1,3-PHENYLENE)BIS(1-DODECANONE);NCGC00387064-05;EX-A4737;UNII-D27Z1V25BZ;1,1'-(2,4,6-Trihydroxy-5-(7-hydroxy-2-(4-hydroxyphenyl)chroman-4-yl)-1,3-phenylene)bis(dodecan-1-one);CHEMBL444450;HY-108609;CS-0029309;1-Dodecanone, 1,1'-[5-[3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-;A899245;J-007943;YM-26734, >=95% (HPLC);DTXSID20932293;144337-18-8;AKOS024457146;AS-80369;D27Z1V25BZ;Q27276004;AC-36612;BDBM50274336;YM-26734?;SCHEMBL25736021;GLXC-04482;1-{3-DODECANOYL-2,4,6-TRIHYDROXY-5-[7-HYDROXY-2-(4-HYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-YL]PHENYL}DODECAN-1-ONE;

标识符

MDL:
MFCD00918068
InChIKey:
CEJAYJCUSZHYDS-UHFFFAOYSA-N
Inchi:
1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3
SMILES:
O1C2C=C(C=CC=2C(C2C(=C(C(CCCCCCCCCCC)=O)C(=C(C(CCCCCCCCCCC)=O)C=2O)O)O)CC1C1C=CC(=CC=1)O)O

1,1'-[5-[3,4-二氢-7-羟基-2-(4-羟基苯基)-2H-1-苯并吡喃-4-基]-2,4,6-三羟基-1,3-亚苯基]双[1-十二烷酮](144337-18-8)物化性质

实验特性

  • LogP : 12.07750
  • PSA : 144.52000
  • 折射率 : 1.572
  • 沸点 : 797.832°C at 760 mmHg
  • 闪点 : 228.539°C
  • 溶解度 : Insuluble (7.2E-9 g/L) (25 ºC),
  • 密度 : 1.140±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 730.44400
  • 氢键供体数量 : 5
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 24
  • 同位素质量 : 730.44446893 g/mol
  • 重原子数量 : 53
  • 复杂度 : 980
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 2
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 14.3
  • 拓扑分子极性表面积 : 145Ų
  • 分子量 : 731.0

1,1'-[5-[3,4-二氢-7-羟基-2-(4-羟基苯基)-2H-1-苯并吡喃-4-基]-2,4,6-三羟基-1,3-亚苯基]双[1-十二烷酮](144337-18-8)安全信息

1,1'-[5-[3,4-二氢-7-羟基-2-(4-羟基苯基)-2H-1-苯并吡喃-4-基]-2,4,6-三羟基-1,3-亚苯基]双[1-十二烷酮](144337-18-8)推荐厂家 更多厂家(10)