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WK692

CAT: 0013-GTR19239722-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239722-01Size:50 mg
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Description
Compound WK692 is a potent and selective BCL6 inhibitor for research use. It demonstrates synergistic activity with EZH2 and PRMT5 inhibitors in suppressing diffuse large B-cell lymphoma (DLBCL) cell proliferation in vitro, showing efficacy without significant toxicity in preclinical models.
CAS Number
2694055-38-2
Field of Research
Immunology & Inflammation
Smiles
N (C=1N2C (N=C (C1) N3[C@@H] (COC (CBr) =O) CCC3) =NC=N2) C=4C=C5C (=CC4) N (C) C (=O) C (OCCNC (CBr) =O) =C5
Molecular Formula
C26H28Br2N8O5
Molecular Weight
692.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(2R)-1-[7-[[3-[2-[(2-bromoacetyl)amino]ethoxy]-1-methyl-2-oxoquinolin-6-yl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methyl 2-bromoacetate
CAS Number2694055-38-2
PubChem CID156695790
IUPAC Name[(2R)-1-[7-[[3-[2-[(2-bromoacetyl)amino]ethoxy]-1-methyl-2-oxoquinolin-6-yl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methyl 2-bromoacetate
Molecular FormulaC26H28Br2N8O5
Molecular Weight692.4
XLogP3.5
Topological Polar Surface Area143
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count41
Formal Charge0
Complexity992
SMILES
CN1C2=C(C=C(C=C2)NC3=CC(=NC4=NC=NN34)N5CCC[C@@H]5COC(=O)CBr)C=C(C1=O)OCCNC(=O)CBr
InChI
InChI=1S/C26H28Br2N8O5/c1-34-19-5-4-17(9-16(19)10-20(25(34)39)40-8-6-29-23(37)12-27)32-22-11-21(33-26-30-15-31-36(22)26)35-7-2-3-18(35)14-41-24(38)13-28/h4-5,9-11,15,18,32H,2-3,6-8,12-14H2,1H3,(H,29,37)/t18-/m1/s1
InChIKey
CLHCCXCOYINGCH-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of [(2R)-1-[7-[[3-[2-[(2-bromoacetyl)amino]ethoxy]-1-methyl-2-oxoquinolin-6-yl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methyl 2-bromoacetate
CAS: 2694055-38-2
CID: 156695790
Formula: C26H28Br2N8O5
MW: 692.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight692.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass692.05289
Monoisotopic Mass690.05494
Topological Polar Surface Area143 Ų
Heavy Atom Count41
Formal Charge0
Complexity992
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T201068-01WK692

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