Primary record
DT2216
- CAS
- 2365172-42-3
- PubChem CID
- 139331475
- SMILES
- CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCC(=O)N4CCN(CC4)CC[C@H](CSC5=CC=CC=C5)NC6=C(C=C(C=C6)S(=O)(=O)NC(=O)C7=CC=C(C=C7)N8CCN(CC8)CC9=C(CCC(C9)(C)C)C1=CC=C(C=C1)Cl)S(=O)(=O)C(F)(F)F)O
- Molecular Formula
- C77H96ClF3N10O10S4
- Molecular Weight
- 1542.39
- Exact Mass
- 1540.5834
- 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
- InChIKey
- PXVFFBGSTYQHRO-REQIQPEASA-N
- LogP
- 12.3977
- TPSA
- 251.07
Names and synonyms
- DT2216
- Y8JQ9V7JAJ
- DT-2216
- 2365172-42-3
- RefChem:135874
- UNII-Y8JQ9V7JAJ
- APTaD DT2216
- PROTAC DT2216
- Bcl-XL Degrader DT2216
- orb691969
- Bcl-XL PROTAC DT2216
- orb2815834
- Dt 2216
- CHEMBL4745523
- SCHEMBL21179145
- SCHEMBL29602160
- GTPL11722
- DT 2216 [WHO-DD]
- GLXC-21978
- EX-A3965
- BCL-XL-specific PROTAC DT2216
- PROTAC Bcl-XL Deagrader DT2216
- NSC853395
- s8924
- NSC-853395
- AC-36542
- BP-41580
- DA-52727
- (2s,4r)-1-((s)-2-(7-(4-((r)-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
- BP-400096