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Chemical structure of KB02-JQ1

GC60964

KB02-JQ1

Also known as N-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide

KB02-JQ1 is a highly selective and PROTAC-based BRD4 degrader (molecular glue), but does not degrade BRD2 or BRD3· KB02-JQ1 promotes BRD4 degradation by covalently modifying DCAF16 (E3 ligase) and can improve the durability of protein degradation in biological systems· JQ1 binds ubiquitin E3 ligase ligand KB02 via a linker to form KB02-JQ1

ChemicalCAS2384184-44-3MW796.76FormulaC38H43Cl2N7O6S
CAS number
2384184-44-3
Molecular weight
796.76
Formula
C38H43Cl2N7O6S
Solubility
DMSO： 200 mg/mL (251·02 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
XIYYDTXOEVAZGI-PMERELPUSA-N
Catalogue number
GC60964
Brand
GLPBIO
Computed properties PubChem CID 137347731 · XLogP 4.4 · TPSA 178 Ų · H-bond donors 2
XLogP
4.4
TPSA
178 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
16
Heavy atoms
54

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCNC(=O)COC4=CC5=C(C=C4)N(CCC5)C(=O)CCl)C6=CC=C(C=C6)Cl)C

Computed descriptors from PubChem (CID 137347731), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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