DT2216-isomer

• Catalog Number: ACMA00027299
• Category: Others
• Molecular Weight: 1542.36
• Molecular Formula: C77H96ClF3N10O10S4
• Description: DT2216-isomer is an isomer of DT2216. Compared to DT-2216, DT2216-isomer has a S-chiral carbon which links to the nitrogen atom of the aniline group.; DT2216 is a potent and selective Bcl-xL-specific degrader. DT2216 is highly active against Bcl-xL-dependent T cell lymphomas. DT2216 selectively killed various Bcl-xL-dependent TCL cells including MyLa cells in vitro. In vivo, DT2216 alone was highly effective against MyLa TCL xenografts in mice without causing significant thrombocytopenia or other toxicity. Furthermore, DT2216 combined with ABT199 (a selective Bcl-2 inhibitor) synergistically reduced disease burden and improved survival in a TCL PDX mouse model dependent on both Bcl-2 and Bcl-xL.
• Synonyms: DT2216-isomer; DT 2216-isomer; DT-2216-isomer
• IUPAC Name: (2S,4R)-1-((S)-2-(7-(4-((S)-3-((4-(N-(4-(4-((4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperazin-1-yl)-7-oxoheptanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
• Canonical SMILES: O=C([C@H]1N(C([C@@H](NC(CCCCCC(N2CCN(CC[C@H](NC3=CC=C(S(=O)(NC(C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)=O)=O)C=C3S(=O)(C(F)(F)F)=O)CSC8=CC=CC=C8)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C9=CC=C(C%10=C(C)N=CS%10)C=C9)C
• InChI: InChI=1S/C77H96ClF3N10O10S4/c1-51(53-18-20-55(21-19-53)70-52(2)82-50-103-70)83-73(96)66-44-61(92)48-91(66)74(97)71(75(3,4)5)85-68(93)16-12-9-13-17-69(94)90-42-36-87(37-43-90)35-33-59(49-102-62-14-10-8-11-15-62)84-65-31-30-63(45-67(65)104(98,99)77(79,80)81)105(100,101)86-72(95)56-24-28-60(29-25-56)89-40-38-88(39-41-89)47-57-46-76(6,7)34-32-64(57)54-22-26-58(78)27-23-54/h8,10-11,14-15,18-31,45,50-51,59,61,66,71,84,92H,9,12-13,16-17,32-44,46-49H2,1-7H3,(H,83,96)(H,85,93)(H,86,95)/t51-,59-,61+,66-,71+/m0/s1
• InChI Key: PXVFFBGSTYQHRO-YDYQAAPMSA-N
• Solubility: To be determined
• Appearance: 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).
• Drug Formulation: To be determined
• Elemental Analysis: C, 59.96; H, 6.27; Cl, 2.30; F, 3.70; N, 9.08; O, 10.37; S, 8.31
• Exact Mass: 1540.5834
• HS Tariff Code: 2934.99.9001
• 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).