Brevetoxin B

Base Information

Chemical Name:Brevetoxin B
CAS No.:79580-28-2
Molecular Formula:C₅₀H₇₀O₁₄
Molecular Weight:895.097
Hs Code.:
European Community (EC) Number:635-975-7
UNII:8WBN7K7T6Z
DSSTox Substance ID:DTXSID20879997
Nikkaji Number:J391.559J
Wikidata:Q27149820
Metabolomics Workbench ID:133854
ChEMBL ID:CHEMBL413858
Mol file:79580-28-2.mol

Synonyms:brevetoxin B

Suppliers and Price of Brevetoxin B

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
Brevetoxin PbTx-2, Ptychodiscus brevis - CAS 79580-28-2 - Calbiochem
100ug
$ 576.00

Sigma-Aldrich
Brevetoxin PbTx-2, Ptychodiscus brevis - CAS 79580-28-2 - Calbiochem Lipid-solublepolyetherneurotoxinthatbindstoNa+channelsonnervesandmusc
100 μg
$ 552.22

Cayman Chemical
Brevetoxin B ≥95%
100μg
$ 244.00

Total 7 raw suppliers

Chemical Property of Brevetoxin B

Chemical Property:

PKA:13.72±0.70(Predicted)
PSA：155.90000
Density:1.188g/cm³
LogP:5.47210
Storage Temp.:−20°C
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:3
Exact Mass:894.47655690
Heavy Atom Count:64
Complexity:1940

Purity/Quality:

98%Min ^*data from raw suppliers

Brevetoxin PbTx-2, Ptychodiscus brevis - CAS 79580-28-2 - Calbiochem ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T+
Statements: 26/27/28
Safety Statements: 22-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical 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
Isomeric SMILES:C[C@@H]1C[C@H]2[C@@H](C[C@]3([C@H](O2)C[C@H]4[C@H](O3)C(=CC(=O)O4)C)C)O[C@@H]5[C@@H]1O[C@H]6C[C@@H]7[C@](C[C@@H]8[C@@](O7)(C/C=C\[C@@H]9[C@@H](O8)C[C@@H]1[C@@H](O9)C[C@@H]2[C@@](O1)([C@H](C[C@H](O2)CC(=C)C=O)O)C)C)(O[C@@]6(CC5)C)C
Description Brevetoxin B is a polyketide neurotoxin produced by Karenia species and other dinoflagellates. It binds to site 5 on the alpha subunit of voltage-gated sodium channels (IC50 = 15 nM) on neurons at the neuromuscular junction, causing the channel to open irreversibly at potentials more negative than normal, discharging action potentials repetitively. Brevetoxin B is ichthyotoxic at nanomolar concentrations and is responsible for an illness described as neurotoxic shellfish poisoning.

Technology Process of Brevetoxin B

There total 2 articles about Brevetoxin B which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

: C₅₆H₈₄O₁₄Si

: 79580-28-2
brevetoxin-2

Guidance literature:: With pyridine hydrogenfluoride; In dichloromethane; at 0 ℃; for 0.5h;
DOI:10.1021/ja00108a052

Reference yield:

: 85079-48-7
brevetoxin-3

: 79580-28-2
brevetoxin-2

Guidance literature:: With manganese(IV) oxide; In diethyl ether; at 20 ℃; for 3h;
DOI:10.1021/ja051171c

Reference yield: 87.4%

: 79580-28-2
brevetoxin-2

: 85079-48-7
brevetoxin-3

Guidance literature:: With sodium tetrahydroborate; cerium(III) chloride; In methanol; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4039(00)98057-2