BREVETOXIN PbTx-2

• CAT Number: T000081
• CAS Number: 79580-28-2
• Molecular Formula: C50H70O14
• Molecular Weight: 895.096
• Purity: ≥95%
• Solubility: In acetone, ethyl acetate, methanol, ethanol and water
• Storage: -20°C
• IUPAC Name: 2-[[(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-1,3,11,24,31,41,44-heptamethyl-39-oxo-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-14-yl]methyl]prop-2-enal
• InChI: InChI=1S/C50H70O14/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/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/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: LYTCVQQGCSNFJU-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)C=O)O)C)C)(OC6(CC5)C)C

BREVETOXIN PbTx-2(CAS 79580-28-2) is an activator of voltage-sensitive Na+ channel.It is 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. 108:514 (1986)

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

3.Lin et al., J. Am. Chem. Soc. 103:6773 (1981)