Name: Sulfo-Cy3-Methyltetrazine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217585053
Cas No:1801924-47-9
常用名:Sulfo-Cy3-Methyltetrazine
IUPAC:2-{3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl}-3,3-dimethyl-1-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-3H-indol-1-ium-5-sulfonate
IUPAC:2-{3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl}-3,3-dimethyl-1-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-3H-indol-1-ium-5-sulfonate
InChI key:OZCFOARLJNJDKW-UHFFFAOYSA-N

分子式:C42H49N7O10S3
分子量:908.07
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)CCCCC[N+]2=C(C=CC=C3N(CCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)cc1
SMILES:Cc1nnc(nn1)-c1ccc(CNC(=O)CCCCC[N+]2=C(C=CC=C3N(CCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)cc1

Sulfo-Cy3-Methyltetrazine（图 7 化合物 5）是一种集成了甲基四嗪的点击化学试剂，亦为水溶性染料。该化合物在生理pH条件下稳定性佳，能高效与反式环辛烯发生偶联反应，对此类烯烃展现出高反应性。

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