4,9-Anhydrotetrodotoxin
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Grundinformationen
- CAS
13072-89-4- Standard-SMILES
NC1=NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO- InChIKey
STNXQECXKDMLJK-NLWUVLGBSA-N- Summenformel
- C11H15N3O7
- Durchschnittliche Molmasse
- 301,25 g/mol
- Monoisotopische Masse
- 301,09099983
Namen und Bezeichner
- Bevorzugter Name
- 4,9-Anhydrotetrodotoxin
- IUPAC
- (2S,3S,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triol
- Englischer Name
- anhydrotetrodotoxin
- Summenformel
- C11H15N3O7
- Molmasse
- 301.25
Namen und Synonyme
Anhydrotetrodotoxin4,9-Anhydrotetrodotoxin4,9-anhydro-TTX13072-89-4DTXSID301019835(2S,3S,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triolTetrodotoxin, 4,9-dideoxy-4,9-epoxy-, (4beta,9beta)-(2S,3S,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo(7.4.1.13,12.05,11.05,14)pentadec-7-ene-2,4,12-triolRefChem:112794DTXCID6014777117-amino-2,4-dihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6-aza-8-azoniapentacyclo(7.4.1.13,12.05,11.05,14)pentadec-7-en-12-olateAnhydroepitetrodotoxin
Weitere Namen anzeigen
9-anhydro-TTX4,9-Dideoxy-4β,9β-epoxytetrodotoxin(8S)-4,9-Dideoxy-4β,9β-epoxytetrodotoxin4,9Anhydrotetrodotoxin,4,9 Anhydrotetrodotoxin(4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-2-Amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-6,10-epoxy-4,8,11a-metheno-11aH-oxocino[4,3-f][1,3,5]oxadiazepine-6,9,11-triol6,10-Epoxy-4,8,11a-metheno-11aH-oxocino[4,3-f][1,3,5]oxadiazepine-6,9,11-triol, 2-amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-, (4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -4,9
- Polarare Oberfläche (TPSA)
- 159 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 574
Physikochemische Eigenschaften
- storage temp.
- -20 ° · -20°
- Löslichkeit
- Soluble in Ethanol (up to 10 mg/ml).
- Aggregatzustand
- A solid or film
- Farbe
- Colorless
- Wasserlöslichkeit
- 1 mg/ml · Soluble to 1 mg/ml in water
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Protect from exposure to light or moisture. Solutions are not stable. Solutions must be prepared fresh and used within 1 working day.
Chemie und Industrie
Anwendungen
Beschreibung4,9-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). It demonstrates IC50 values of 1.3, 0.34, 0.99, 78.5, 1.3, and >30 μM for Nav1.2, Nav1.3, Nav1.4, Nav1.5, Nav1.7, and Nav1.8, respectively.
Anbieter11 Anbieter
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences[email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
江苏艾康生物医药研发有限公司
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