Name: 4,9-Anhydrotetrodotoxin
Rating: 5 (10 reviews)

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HIT ID:HIT214321475
Cas No:13072-89-4
常用名:4,9-Anhydrotetrodotoxin
别名:4,9-anhydro-TTX, 4,9-Anhydrotetrodotoxin
别名:4,9-anhydro-TTX, 4,9-Anhydrotetrodotoxin
IUPAC:(1R,2S,3S,4S,5R,9S,11S,12S,14R)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1^{3,12}.0^{5,11}.0^{5,14}]pentadec-7-ene-2,4,12-triol
IUPAC:(1R,2S,3S,4S,5R,9S,11S,12S,14R)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1^{3,12}.0^{5,11}.0^{5,14}]pentadec-7-ene-2,4,12-triol
InChI key:STNXQECXKDMLJK-PZKHIREQSA-N

分子式:C11H15N3O7
分子量:301.255
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@@]3([H])[C@]4(NC(N)=N1)[C@H](O)[C@]1([H])O[C@@]3(O)O[C@]([H])([C@]24[H])[C@@]1(O)CO |c:8,THB:10:5:2.1:18.15.17|
SMILES:[H][C@@]12O[C@@]3([H])[C@]4(NC(N)=N1)[C@H](O)[C@]1([H])O[C@@]3(O)O[C@]([H])([C@]24[H])[C@@]1(O)CO |c:8,THB:10:5:2.1:18.15.17|

4,9-Anhydrotetrodotoxin (4,9-anhydro-TTX) is a derivative of TTX that selectively blocks inward sodium current through Nav1.6 voltage-activated sodium channels (IC50 = 7.8 nM in Xenopus oocytes). [1][2][3] It demonstrates IC50 values of 1.3, 0.34, 0.99, 78.5, 1.3, and >30 &#181M for Nav1.2, Nav1.3, Nav1.4, Nav1.5, Nav1.7, and Nav1.8, respectively.[1]

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