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WK500B

CAT: 0013-GTR19241550-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241550-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WK500B is a cell-permeable BCL6 inhibitor that disrupts the BCL6 repression complex, reactivating target genes to induce apoptosis and cell cycle arrest in DLBCL cells. It demonstrates efficacy in both in vitro assays and in vivo models, inhibiting germinal center formation and tumor growth with favorable pharmacokinetics.
CAS Number
2253985-29-2
Smiles
N (C1=NC (=NC=C1F) N2C[C@H] (C) N[C@H] (C) C2) C3=CC=C (NC (=O) C=4N=C (Br) C=CC4) C=C3
Molecular Formula
C22H23BrFN7O
Molecular Weight
500.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-bromo-N-[4-[[2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]amino]phenyl]pyridine-2-carboxamide
CAS Number2253985-29-2
PubChem CID168296180
IUPAC Name6-bromo-N-[4-[[2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]amino]phenyl]pyridine-2-carboxamide
Molecular FormulaC22H23BrFN7O
Molecular Weight500.4
XLogP4
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity613
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=N2)NC3=CC=C(C=C3)NC(=O)C4=NC(=CC=C4)Br)F
InChI
InChI=1S/C22H23BrFN7O/c1-13-11-31(12-14(2)26-13)22-25-10-17(24)20(30-22)27-15-6-8-16(9-7-15)28-21(32)18-4-3-5-19(23)29-18/h3-10,13-14,26H,11-12H2,1-2H3,(H,28,32)(H,25,27,30)/t13-,14+
InChIKey
YJGYJPZYSQTACG-OKILXGFUSA-N
Chemical Structure
2D Structure
2D structure of 6-bromo-N-[4-[[2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]amino]phenyl]pyridine-2-carboxamide
CAS: 2253985-29-2
CID: 168296180
Formula: C22H23BrFN7O
MW: 500.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.4
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass499.11315
Monoisotopic Mass499.11315
Topological Polar Surface Area95.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202976-01WK500B

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