Chem
J-GLOBAL ID：201507068342051988   Nikkaji number：J3.362.774B

BTP3-Neu5Ac

BTP3-Neu5Ac
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C24H25BrN2O9S
Molecular formula furigana： C24-H25-BR-N2-O9-S
Molecular weight： 597.430
InChI： InChI=1S/C24H25BrN2O9S/c1-11(29)26-19-15(30)9-24(23(33)34,36-21(19)20(32)16(31)10-28)35-17-7-6-12(25)8-13(17)22-27-14-4-2-3-5-18(14)37-22/h2-8,15-16,19-21,28,30-32H,9-10H2,1H3,(H,26,29)(H,33,34)/t15-,16+,19+,20+,21+,24+/m0/s1
InChI key： FNHBULWEDMXANF-DJBMCGEUSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)C[C@@](Oc2ccc(Br)cc2c2nc3ccccc3s2)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O
Systematic name  (5)：
  • 2-O-[4-ブロモ-2-(2-ベンゾチアゾリル)フェニル]-N-アセチル-α-ノイラミン酸
  • 2-O-[4-ブロモ-2-(ベンゾチアゾール-2-イル)フェニル]-5-アセチルアミノ-3,5-ジデオキシ-α-D-glycero-D-galacto-2-ノヌロピラノソン酸
  • N-アセチル-2-O-[2-(ベンゾチアゾール-2-イル)-4-ブロモフェニル]-α-ノイラミン酸
  • (2S,4S,5R,6R)-2-[2-(1,3-ベンゾチアゾール-2-イル)-4-ブロモフェノキシ]-5-アセトアミド-4-ヒドロキシ-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]オキサン-2-カルボン酸
  • (2S,4S,5R,6R)-2-[2-(1,3-benzothiazol-2-yl)-4-bromophenoxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Other name (4)：
  • 2-O-[4-Bromo-2-(2-benzothiazolyl)phenyl]-N-acetyl-α-neuraminic acid
  • BTP3-Neu5Ac
  • 2-O-[4-Bromo-2-(benzothiazole-2-yl)phenyl]-5-acetylamino-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosonic acid
  • N-Acetyl-2-O-[2-(benzothiazole-2-yl)-4-bromophenyl]-α-neuraminic acid
Application (3)：
fluorometry (measurement) ,  diagnostic drug ,  probe
Thsaurus map：
Thesaurus Map

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