1225497-78-8 (N-[2-甲氧基-5-[[[2-(2,4,6-三甲氧基苯基)乙烯基]磺酰]甲基]苯基]甘氨酸钠盐,ON-01910 Sodium Salt)

CAS号:
1225497-78-8
中文名称:
N-[2-甲氧基-5-[[[2-(2,4,6-三甲氧基苯基)乙烯基]磺酰]甲基]苯基]甘氨酸钠盐
英文名称:
ON-01910 Sodium Salt
分子式:
C21H24NNaO8S
分子量:
473.471936225891

N-[2-甲氧基-5-[[[2-(2,4,6-三甲氧基苯基)乙烯基]磺酰]甲基]苯基]甘氨酸钠盐(1225497-78-8)名称与标识符

名称

中文别名:
N-[2-甲氧基-5-[[[2-(2,4,6-三甲氧基苯基)乙烯基]磺酰]甲基]苯基]甘氨酸钠盐;Rigosertib (ON-01910) 抑制剂;ON 01910 钠盐;
英文别名:
Rigosertib Sodium(Random Configuration);ON-01910;ON-01910 Sodium Salt;Rigosertib (ON-?01910);Rigosertib (ON-01910);Sodium {[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)vinyl]sulfo nyl}methyl)phenyl]amino}acetate;Estybon;N-[2-Methoxy-5-[[[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl]methyl]phenyl]glycine sodium salt;ON 01910 sodium salt;Rigosertib;Rigosertib,ON-01910;Rigosertib sodium;Novonex;ON 01910;406FL5G00V;ON 01910.Na;Rigosertib sodium [USAN];Rigosertib (sodium);ON01910 sodium;C21H24NNaO8S;Rigosertib sodium (JAN/USAN);Rigosertib Sodium (ON01910);VLQLUZFVFXYXQE-USRGLUTNSA-M;BCP08297;BC;SCHEMBL498729;EX-A2149;GLYCINE, N-(2-METHOXY-5-((((1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL)SULFONYL)METHYL)PHENYL)-, SODIUM SALT (1:1);1225497-78-8;ON-01910 sodium;SODIUM 2-[(2-METHOXY-5-{[2-(2,4,6-TRIMETHOXYPHENYL)ETHENESULFONYL]METHYL}PHENYL)AMINO]ACETATE;A11955;s1362;Glycine, N-[2-methoxy-5-[[[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl]methyl]phenyl]-, sodium salt (1:1);Q27258295;SW219255-1;Glycine, N-(2-methoxy-5-((((1E)-2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonyl)methyl)phenyl)-, monosodium salt;ON-1910Na;Rigosertib; ON-01910;BR175409;sodium [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate;sodium (E)-(2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)phenyl)glycinate;RIGOSERTIB SODIUM [WHO-DD];Sodium (2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)phenyl)glycinate;CHEMBL2013119;AS-74823;(E)-ON 01910.Na;(e)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)acetic acid sodium salt;UNII-406FL5G00V;rigosertib sodium salt;AKOS025404906;Sodium (E)-2-(2-methoxy-5-((2,4,6-trimethoxystyrylsulfonyl)methyl)phenylamino)acetate;DA-57444;Glycine, N-[2-Methoxy-5-[[[(1E)-2-(2,4,6-triMethoxyphenyl)ethenyl]sulfonyl]Methyl]phenyl]-, sodiuM Slat;RIGOSERTIB SODIUM [JAN];BCP02852;CS-0012458;EX-A4081;Estybon, ON-01910;Rigosertib?;BCP9001024;AC-32845;ON 01910 sodium;D10155;EX-8601;592542-60-4;HY-18651;RIGOSERTIB, ON-01910;CCG-269479;sodium;2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetate;SyB L-1101;Rigosertib sodium?;(E/Z)-Rigosertib (sodium);sodium (E)-2-((2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)phenyl)amino)acetate;CHEBI:145421;AC-36514;Onc-01910;SyB C-1101;ON-01910.Na;ON-01910Na;

标识符

MDL:
MFCD11655911
InChIKey:
VLQLUZFVFXYXQE-USRGLUTNSA-M
Inchi:
1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;
SMILES:
S(/C=C/C1C(=CC(=CC=1OC)OC)OC)(CC1C=CC(=C(C=1)NCC(=O)[O-])OC)(=O)=O.[Na+]

N-[2-甲氧基-5-[[[2-(2,4,6-三甲氧基苯基)乙烯基]磺酰]甲基]苯基]甘氨酸钠盐(1225497-78-8)物化性质

实验特性

  • LogP : 2.62230
  • PSA : 131.60000
  • 熔点 : >256oC (dec.)
  • 溶解度 : Methanol (Slightly), Water (Slightly)

计算特性

  • 精确分子量 : 473.11200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 11
  • 同位素质量 : 473.11203218g/mol
  • 重原子数量 : 32
  • 复杂度 : 684
  • 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 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 132

N-[2-甲氧基-5-[[[2-(2,4,6-三甲氧基苯基)乙烯基]磺酰]甲基]苯基]甘氨酸钠盐(1225497-78-8)安全信息

N-[2-甲氧基-5-[[[2-(2,4,6-三甲氧基苯基)乙烯基]磺酰]甲基]苯基]甘氨酸钠盐(1225497-78-8)国际标准相关数据

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N-[2-甲氧基-5-[[[2-(2,4,6-三甲氧基苯基)乙烯基]磺酰]甲基]苯基]甘氨酸钠盐(1225497-78-8)推荐厂家 更多厂家(25)

N-[2-甲氧基-5-[[[2-(2,4,6-三甲氧基苯基)乙烯基]磺酰]甲基]苯基]甘氨酸钠盐(1225497-78-8)参考资料

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