DM1-SMe

• CAS: 138148-68-2
• Catalog Number: ACM138148682
• Category: Inhibitors
• Molecular Weight: 784.38
• Molecular Formula: C36H50ClN3O10S2
• Description: DM1-SMe is a potent maytansinoid microtubular inhibitor and an unconjugated DM1 as a mixed disulfide with thiomethane to cap its sulfhydryl group. DM1-SMe can be readily conjugate to the SH group of an antibody to form antibody-drug conjugate (ADC).
• Synonyms: DM1-SMe; DM1-SSMe; SMe-DM4,; maytansinoid derivative with ADC linker. Maytansine or mertansine or emtansine derivative; N2'-deacetyl-N2'-[3-(methyldithio)-1-oxopropyl]maytansine
• IUPAC Name: N2'-deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine
• Canonical SMILES: C[C@@H]1[C@@H]2C[C@](NC(O2)=O)(O)[C@H](OC)/C=C\C=C(C)\CC3=CC(N(C)C(C[C@@H](OC([C@@H](N(C(CCSSC)=O)C)C)=O)[C@@]4(C)C1O4)=O)=C(Cl)C(OC)=C3
• InChI: InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10-,20-11+/t21-,22+,26+,27-,28-,32?,35+,36+/m1/s1
• InChI Key: ZLUUPZXOPGORNG-CXGJBNANSA-N
• Solubility: Soluble in DMSO, not in water
• Appearance: White to off-white solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Biological Target: DM1-SMe is a maytansinoid microtubular inhibitor.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 55.13; H, 6.43; Cl, 4.52; N, 5.36; O, 20.40; S, 8.17
• Exact Mass: 783.2626
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: DM1-SMe was tested against the PPTP's (pediatric preclinical testing program) in vitro cell line panel at concentrations ranging from 0.01 nM to 0.1 μM and 0.3 pM to 3 nM, respectively, using the PPTP's standard 96 hour exposure period. The median rIC50 for DM1-SMe was 0.06 nM, respectively (Table I). The neuroblastoma panel showed significantly higher rIC50 values compared to non-neuroblastoma cell lines for DM1-SMe (2.5 nM and 0.039 nM, respectively).; Reference: Pediatr Blood Cancer. 2013 Nov;60(11):1860-7. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4260400/
• In Vivo Activity: TBD
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).