WK500B

CAT: 0931-T202976-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T202976-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2253985-29-2

Bioactivity

WK500B is a BCL6 inhibitor that binds to BCL6 within cells, obstructing the BCL6 repression complex and reactivating target genes of BCL6, which leads to the death of DLBCL cells and induces apoptosis and cell cycle arrest. In animal models, WK500B inhibits the formation of germinal centers (GC) and the growth of DLBCL tumors without toxic side effects. Moreover, WK500B demonstrates strong efficacy and favorable pharmacokinetic properties, indicating significant development potential.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

6-bromo-N-[4-[[2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]amino]phenyl]pyridine-2-carboxamide

CAS Number	2253985-29-2
PubChem CID	168296180
IUPAC Name	6-bromo-N-[4-[[2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]amino]phenyl]pyridine-2-carboxamide
Molecular Formula	C22H23BrFN7O
Molecular Weight	500.4
XLogP	4
Topological Polar Surface Area	95.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	613

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

CAS: 2253985-29-2

CID: 168296180

Formula: C22H23BrFN7O

MW: 500.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	500.4
XLogP3	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	499.11315
Monoisotopic Mass	499.11315
Topological Polar Surface Area	95.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	613
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19241550-01	WK500B

WK500B

Chemical Information

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