主记录
Uproleselan sodium
- CAS
- 1914993-95-5
- PubChem CID
- 129900385
- SMILES
- CC[C@H]1C[C@H](C[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)[O-])NC(=O)C)C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.[Na+]
- 分子式
- C60H108N3NaO27
- 分子量
- 1326.508
- 精确分子量
- 1325.7068
- InChI
- InChI=1S/C60H109N3O27.Na/c1-5-44-38-45(39-46(55(44)90-60-54(70)53(69)51(67)41(2)86-60)88-59-50(63-42(3)65)56(52(68)48(40-64)89-59)87-47(58(72)73)37-43-9-7-6-8-10-43)57(71)62-13-12-61-49(66)11-14-75-17-18-77-21-22-79-25-26-81-29-30-83-33-34-85-36-35-84-32-31-82-28-27-80-24-23-78-20-19-76-16-15-74-4;/h41,43-48,50-56,59-60,64,67-70H,5-40H2,1-4H3,(H,61,66)(H,62,71)(H,63,65)(H,72,73);/q;+1/p-1/t41-,44-,45+,46+,47-,48+,50+,51+,52-,53+,54-,55+,56+,59+,60-;/m0./s1
- InChIKey
- PXEZBPFEQYCSGD-CVDXTIKBSA-M
- LogP
- -5.4671
- TPSA
- 385.49
名称与别名
- Uproleselan sodium
- Uproleselan (sodium)
- 17ZJN0Q4CJ
- GMI-1271 SODIUM
- Uproleselan sodium [USAN]
- RefChem:193158
- ABI701
- UNII-17ZJN0Q4CJ
- E-selectin antagonist gmi-1271
- Uproleselan sodium (USAN)
- ABI-701
- GMI-1271
- CHEMBL3989975
- SCHEMBL29449694
- HY-109107A
- 1914993-95-5
- CS-0088679
- D11310
- sodium;(2S)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(1R,2R,3S,5R)-3-ethyl-5-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoate
- 4,7,10,13,16,19,22,25,28,31,34,37-Dodecaoxaoctatriacontanamide, N-(2-((((1R,3R,4R,5S)-3-((2-(acetylamino)-3-O-((1S)-1-carboxy-2-cyclohexylethyl)-2-deoxy-beta-D-galactopyranosyl)oxy)-4-((6-deoxy-alpha-L-galactopyranosyl)oxy)-5-ethylcyclohexyl)carbonyl)amino)ethyl)-, sodium salt (1:1)
- Sodium (2S)-2-(((2R,3R,4R,5R,6R)-3-acetamido-2-(((1R,2R,3S,5R)-5-((2-(4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxaoctatriacontanamido)ethyl)carbamoyl)-3-ethyl-2-(alpha-L-galactopyranosyloxy)cyclohexyl)oxy)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl)oxy)-3-cyclohexylpropanoate
- Sodium (S)-2-(((2R,3R,4R,5R,6R)-3-acetamido-2-(((1R,2R,3S,5R)-3-ethyl-5-((38-oxo-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxa-39-azahentetracontan-41-yl)carbamoyl)-2-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)cyclohexyl)oxy)-5-