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Chemical structure of BSJ-4-116

GC62263

BSJ-4-116

Also known as N-[7-[(3R)-3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]piperidin-1-yl]heptyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

BSJ-4-116 is a PROTAC connected by ligands for Cereblon and CDK· BSJ-4-116 is a highly potent and selective CDK12 degrader (PROTAC) with an IC50 of 6 nM· BSJ-4-116 downregulates DDR genes through a premature termination of transcription, primarily through increasing poly(adenylation)· BSJ-4-116 exhibits potent antiproliferative effects, alone and in combination with the poly(ADP-ribose) polymerase inhibitor Olaparib

ChemicalCAS2519823-34-6MW837.38FormulaC40H49ClN8O8S
CAS number
2519823-34-6
Molecular weight
837.38
Formula
C40H49ClN8O8S
Solubility
DMSO ： 250 mg/mL (298·55 mM; Need ultrasonic)
InChIKey
YJOJMGTVKMABKQ-FIQOPJFZSA-N
Catalogue number
GC62263
Brand
GLPBIO
Computed properties PubChem CID 155235839 · XLogP 5.4 · TPSA 217 Ų · H-bond donors 4
XLogP
5.4
TPSA
217 Ų
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
18
Heavy atoms
58

SMILES CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)N[C@@H]3CCCN(C3)CCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O

Computed descriptors from PubChem (CID 155235839), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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