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2,4-(OH)₂-PhAcAsn433Lys
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 2001 / T. clavipes & N. madagascariensis |
| Synonym | NPTX 594 |
| Molecular formula | C₂₈H₅₀N₈O₆ |
| CAS | 288072-21-9 |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNCCCNCCCNC(C(N)CCCCN)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C28H50N8O6/c29-10-2-1-7-22(30)27(41)34-16-6-14-33-13-5-12-32-11-3-4-15-35-28(42)23(19-25(31)39)36-26(40)17-20-8-9-21(37)18-24(20)38/h8-9,18,22-23,32-33,37-38H,1-7,10-17,19,29-30H2,(H2,31,39)(H,34,41)(H,35,42)(H,36,40) |
| |
| Precursor 1 [M+H]⁺ | 595.39261 |
| Precursor 2 [M+2H]²⁺ | 298.19994 |
| Precursor 3 | |
| |
| HDX | 13 |
| Precursor HDX 1 [M(D₁₃)+D]⁺ | 609.48048 |
| Precursor HDX 2 [M(D₁₃)+2D]²⁺ | 305.74702 |
| Precursor HDX 3 | |
| |
| Rt | 3.36 |
| Rt HDX | 2.53 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 186.16009 | 169.13354 | 203.18664 |
| 2 | 336.15540 | 318.14483 | 319.12885 | 353.18195 | 243.21794 | 226.19139 | 260.24449 |
| 3 | 393.21325 | 375.20268 | 376.18670 | 410.23980 | 314.29144 | 297.26489 | 331.31799 |
| 4 | 450.27110 | 432.26053 | 433.24455 | 595.39261 | 428.33436 | 411.30782 | 445.36091 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 595.39261 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 298.19994 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Total synthesis of the novel spider toxin NPTX-594 from Nephila madagascariencis | T. Wakamiya, A. Yamamoto, K. Kawaguchi, T. Kinoshita, Y. Yamaguchi, Y. Itagaki, H. Naoki, T. Nakajima, Bull. Chem. Soc. Jpn. 2001, 74, 1743-1749 | T. clavipes & N. madagascariensis | NPTX 594 | Synthesis, NMR, Activity-studies | Link |
| Study on the structure activity relationships of NPTX-594, a spider toxin belonging to the type-B acylpolyamine structure | T. Wakamiya, T. Kinoshita, Y. Hattori, Y. Yamaguchi, H. Naoki, G. Corzo, T. Nakajima, Bull. Chem. Soc. Jpn. 2004, 77, 331-340 | | | Synthesis of analouges, Activity-studies | Link |
| Syntheses and biological activities of fluorescent-labeled analogs of acylpolyamine toxin NPTX-594 isolated from the venom of Madagascar Joro spider | T. Nishimaru, M. Sano, Y. Yamaguchi, T. Wakamiya, Bioorg. Med. Chem. 2009, 17, 57-63 | | | Synthesis of fluorescent-labeled analouges, Activity-studies | Link |
| Low molecular mass compounds in spider venom | Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation | div. | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Trichonephila clavipes | Araneidae | 2001 / T. Wakamiya |
| Trichonephila inaurata madagascariensis | Araneidae | 2001 / T. Wakamiya |