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Chemical structure of SNIPER(BRD)-1

GC65574

SNIPER(BRD)-1

Also known as (2S)-N-[(1S)-2-[(2S)-2-[4-[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]ethoxy]ethoxy]benzoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide

SNIPER(BRD)-1, consists of an IAP antagonist LCL-161 derivative and a BET inhibitor, (+)-JQ-1, connected by a linker· SNIPER(BRD)-1 induces the degradation of BRD4 via the ubiquitin-proteasome pathway· SNIPER(BRD)-1 also degrades cIAP1 , cIAP2 and XIAP with IC50s of 6·8 nM, 17 nM, and 49nM, respectively

ChemicalCAS2095244-54-3MW1056.73FormulaC53H66ClN9O8S2
CAS number
2095244-54-3
Molecular weight
1056.73
Formula
C53H66ClN9O8S2
Solubility
DMSO ： 100 mg/mL (94·63 mM; Need ultrasonic)
InChIKey
FVDSZRCRCFMYQV-CDYWKMCDSA-N
Catalogue number
GC65574
Brand
GLPBIO
Computed properties PubChem CID 138377573 · XLogP 6.8 · TPSA 257 Ų · H-bond donors 3
XLogP
6.8
TPSA
257 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
24
Heavy atoms
73

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCCOC4=CC=CC(=C4)C(=O)C5=CSC(=N5)[C@@H]6CCCN6C(=O)[C@H](C7CCCCC7)NC(=O)[C@H](C)NC)C8=CC=C(C=C8)Cl)C

Computed descriptors from PubChem (CID 138377573), 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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Documents
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