For research use only. Not for therapeutic Use.
SG3199-Val-Ala-PAB is an intermediate of Tesirine synthesis. Tesirine is a agent-linker conjugate for ADC which can be used for the research of several cancers[1].
SG3199-Val-Ala-PAB is an intermediate in in the synthesis of Tesirine, an antibody-drug conjugate pyrrolobenzodiazepine dimer payload[1].
| Catalog Number | I045698 |
| CAS Number | 1595275-61-8 |
| Synonyms | [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl (6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate |
| Molecular Formula | C49H59N7O11 |
| Purity | ≥95% |
| InChI | InChI=1S/C49H59N7O11/c1-27(2)43(50)45(58)52-30(5)44(57)53-32-13-11-31(12-14-32)26-67-49(62)56-37-22-42(40(64-7)20-35(37)47(60)55-25-29(4)18-38(55)48(56)61)66-16-10-8-9-15-65-41-21-36-34(19-39(41)63-6)46(59)54-24-28(3)17-33(54)23-51-36/h11-14,19-25,27,30,33,38,43,48,61H,8-10,15-18,26,50H2,1-7H3,(H,52,58)(H,53,57)/t30-,33-,38-,43-,48-/m0/s1 |
| InChIKey | UTSDPVVCKWJDSI-XSNNZHSXSA-N |
| SMILES | CC1=CN2C(C1)C=NC3=CC(=C(C=C3C2=O)OC)OCCCCCOC4=C(C=C5C(=C4)N(C(C6CC(=CN6C5=O)C)O)C(=O)OCC7=CC=C(C=C7)NC(=O)C(C)NC(=O)C(C(C)C)N)OC |
| Reference | [1]. Tiberghien AC, et, al. Design and Synthesis of Tesirine, a Clinical Antibody-Drug Conjugate Pyrrolobenzodiazepine Dimer Payload. ACS Med Chem Lett. 2016 May 24;7(11):983-987. |
