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Chemical structure of OARV-771

GC69601

OARV-771

Also known as 2-[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]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]acetate

OARV-771 is a VHL-based BET degrader (PROTAC) with improved cell permeability· OARV-771 shows DC50 values of 6, 1, and 4 nM for Brd4, Brd2, and Brd3 respectively

ChemicalCAS2683008-37-7MW987.62FormulaC49H59ClN8O8S2
CAS number
2683008-37-7
Molecular weight
987.62
Formula
C49H59ClN8O8S2
Solubility
DMSO ： 100 mg/mL (101·25 mM; Need ultrasonic)
InChIKey
CWTFXHWWWKKEQI-QQRWPDCKSA-N
Catalogue number
GC69601
Brand
GLPBIO
Computed properties PubChem CID 162679304 · XLogP 6.4 · TPSA 256 Ų · H-bond donors 3
XLogP
6.4
TPSA
256 Ų
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
20
Heavy atoms
68

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OCCOCCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C

Computed descriptors from PubChem (CID 162679304), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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