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.
| Catalog Number | T000081 |
| CAS Number | 79580-28-2 |
| Synonyms | Brevetoxin 2;BTX-B;GbTx-2;PbTx-2 |
| Molecular Formula | C50H70O14 |
| 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 |
| Reference | 1.Shimizu et al., J. Am. Chem. Soc. 108:514 (1986)<br /> |
