For research use only. Not for therapeutic Use.
Tesirine intermediate-2 is the intermediate of Tesirine (HY-128952). Tesirine (SG3249), a pyrrole benzodiazepine (PBD) dimer, is a DNA small channel crosslinker with strong cytotoxicity. Tesirine can be used to synthesize Antibody-Drug Conjugates (ADCs), the warhead component of the payload is SG3199 (HY-101161), which has strong anticancer cell activity.
| Catalog Number | I040670 |
| CAS Number | 1430738-34-3 |
| Synonyms | [4-[[(2S)-2-[[(2S)-3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]amino]propanoyl]amino]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate |
| Molecular Formula | C40H55N5O10Si |
| Purity | ≥95% |
| InChI | InChI=1S/C40H55N5O10Si/c1-12-17-53-38(50)43-33(23(2)3)35(48)41-25(5)34(47)42-27-15-13-26(14-16-27)22-54-39(51)45-29-20-31(46)32(52-9)19-28(29)36(49)44-21-24(4)18-30(44)37(45)55-56(10,11)40(6,7)8/h12-16,19-21,23,25,30,33,37,46H,1,17-18,22H2,2-11H3,(H,41,48)(H,42,47)(H,43,50)/t25-,30-,33-,37-/m0/s1 |
| InChIKey | XKNXDIGKRXQNKC-AGUYGVQZSA-N |
| SMILES | CC1=CN2C(C1)C(N(C3=CC(=C(C=C3C2=O)OC)O)C(=O)OCC4=CC=C(C=C4)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)OCC=C)O[Si](C)(C)C(C)(C)C |
| Reference | [1]. Howard, et al. Process for the preparation of intermediates useful for the synthesis of pyrrolobenzodiazepine dimers. World Intellectual Property Organization, WO2013053872 A1. 2013-04-18. [2]. Tiberghien AC, et al. Design and Synthesis of Tesirine, a Clinical Antibody-Drug Conjugate Pyrrolobenzodiazepine Dimer Payload. ACS Med Chem Lett. 2016;7(11):983-987. Published 2016 May 24. |
