2,4-(OH)₂-PhAcAsn5

General Description

NameValue
LevelS-3 / C-1
Discovered2020 / P. bistriata
Synonym
Molecular formulaC₁₇H₂₆N₄O₅
CAS112111-38-3
SMILESO=C(CC1=CC=C(O)C=C1O)NC(CC(N)=O)C(NCCCCCN)=O
InChIInChI=1S/C17H26N4O5/c18-6-2-1-3-7-20-17(26)13(10-15(19)24)21-16(25)8-11-4-5-12(22)9-14(11)23/h4-5,9,13,22-23H,1-3,6-8,10,18H2,(H2,19,24)(H,20,26)(H,21,25)
Precursor 1 [M+H]⁺367.19760
Precursor 2 [M+2H]²⁺184.10244
Precursor 3
HDX8
Precursor HDX 1 [M(D₈)+D]⁺376.25409
Precursor HDX 2 [M(D₈)+2D]²⁺189.13382
Precursor HDX 3
Rt5.44
Rt HDX4.50

Calculated MS/MS fragments

#abctazytz
1265.08190247.07133248.05535282.1084586.0964369.06988103.12297
2350.17105332.16048333.14450367.19760200.13935183.11280217.16590

Additional MS/MS fragments

m/zAnnotation
123.04406a’

Recorded MS/MS spectra

pdfPrecursorCo-elutingSpiderSourceAuthor
Data367.19760P. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster
DataHDXP. bistriataProf. Dr. Wagner Ferreira dos Santos, BRAY. M. Forster

References

TitleReferenceSpiderNameContentLink
Synthesis of spider toxin (JSTX-3) and its analogsY. Hashimoto, Y. Endo, K. Shudo, Y. Aramaki, N. Kawai, T. Nakajima, Tetrahedron Letters 1987, 28, 3511-3514compound 3Synthesis, NMR, Activity-studiesLink
Newly synthesized analogues of the spider toxin block the crustacean glutamate receptorK. Shudo, Y. Endo, Y. Hashimoto, Y. Aramaki, T. Nakajima, N. Kawai, Neuroscience Research 1987, 5, 82-85C-1Synthesis, Activity-studiesLink
Chemical structure of Joro spider toxin (JSTX)Y. Aramaki, T. Yasuhara, K. Schimazaki, N. Kawai, T. Nakajima, Biomed. Res. 1987, 8, 241Activity-studiesLink
Antropod toxins as leads for novel insecticides: An assessment of polyamine amides as glutamate antagonistsI. S. Blagbrough, P. T. H. Brackley, M. Bruce, B. W. Bycroft, A. J. Mather, S. Millington, H. L. Sudan, P. N. R. Usherwood, Toxicon 1992, 30, 303-322Activity-studiesLink
Elucidation of the structure and synthesis of neuroprotective low molecular mass components of the Parawixia bistriata spider venomY. M. Forster, J. L. Green, A. Khatiwada, J. L. Liberato, P. A. Narayana Reddy, J. M. Salvino, S. Bienz, L. Bigler, W. Ferreira dos Santos, A. C. K. Fontana, ACS Chem Neurosci., 2020P. bistriataESI-MS/MSLink

Spider species

Spider speciesFamilyDiscovered
Parawixia bistriataAraneidae2020 / Y. M. Forster

Comments