BREVETOXIN PbTx-3

• CAT Number: T000082
• CAS Number: 85079-48-7
• Molecular Formula: C50H72O14
• Molecular Weight: 897.112
• Purity: ≥95%
• Solubility: In acetone, ethyl acetate, methanol, ethanol, water.
• Storage: Brevetoxins are unusually stable materials in the dry state under vacuum. It is recommended that PbTx-3 be stored at -20°C in its original unopened vial until use. Once opened, PbTx-3 should be dissolved in an appropriate solvent like acetone, acet
• IUPAC Name: (1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one
• InChI: InChI=1S/C50H72O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,26,28-42,44-45,51-52H,1,11-15,17-24H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1
• InChIKey: BKMHDYJRAAJTAD-FGRVLNGBSA-N
• SMILES: CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(CC=CC9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)CO)O)C)C)(OC6(CC5)C)C

BREVETOXIN PbTx-3 (CAS 85079-48-7), a cyclic polyether, from the microorganism Ptychodiscus brevis, is an activator of voltage-sensitive Na+ channels. It is considered as a neurotoxin that binds to voltage-gated sodium channels in nerve cells, leading to disruption of normal neurological processes and causing the illness clinically described as neurotoxic shellfish poisoning.

Reference

1.Shimizu et al., J. Am. Chem. Soc.(1986) 108:514

2.Trainer et al., ACS, Symposium series(1990) 418:166

3.Baden, D.G., et al. 1994. Nat. Toxins 2, 212.