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Chemical structure of NICE-01

GC71372

NICE-01

Also known as [(1R)-1-[3-[2-[2-[2-[2-[[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]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate

NICE-01 (AP1867-PEG2-JQ1; AP-PEG2-JQ1) is a bifunctional compound that bind to proteins in separate cellular compartments that can induce nuclear import of cytosolic cargoes, using nuclear-localized bromodomain-containing protein 4 (BRD4) as a “carrier” for co-import and nuclear trapping of cytosolic proteins

ChemicalCAS2982819-94-1MW1206.83FormulaC63H76ClN7O13S
CAS number
2982819-94-1
Molecular weight
1206.83
Formula
C63H76ClN7O13S
Solubility
DMSO ： 100 mg/mL (82·86 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
USCBOLCYUGPYAF-YUZLDYPQSA-N
Catalogue number
GC71372
Brand
GLPBIO
Computed properties PubChem CID 169183208 · XLogP 8.8 · TPSA 250 Ų · H-bond donors 2
XLogP
8.8
TPSA
250 Ų
H-bond donors
2
H-bond acceptors
17
Rotatable bonds
30
Heavy atoms
85

SMILES CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCOCCOCCNC(=O)C[C@H]5C6=NN=C(N6C7=C(C(=C(S7)C)C)C(=N5)C8=CC=C(C=C8)Cl)C

Computed descriptors from PubChem (CID 169183208), 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.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.