BREVETOXIN PbTx-3

Melting Point:291-293 °C. (dec.)
Optical Activity:No optical Activity
Purity:95 % (HPLC)

Cat No:	T000082
Cas No:	85079-48-7
Product-Name:	BREVETOXIN PbTx-3
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.

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.