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Chemical structure of BLK degrader 1

GC73583

BLK degrader 1

Also known as N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-methyl-5-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzamide

BLK degrader 1 (compound 9) is a selective degrader of B-lymphoid tyrosine kinase (BLK)

ChemicalCAS3049215-64-4MW582.58FormulaC32H25F3N6O2
CAS number
3049215-64-4
Molecular weight
582.58
Formula
C32H25F3N6O2
Solubility
DMSO ： 100 mg/mL (171·65 mM; Need ultrasonic)
InChIKey
MGJRUWHJBSOWPN-UHFFFAOYSA-N
Catalogue number
GC73583
Brand
GLPBIO
Computed properties PubChem CID 168476048 · XLogP 5.9 · TPSA 122 Ų · H-bond donors 4
XLogP
5.9
TPSA
122 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
43

SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)NC4=CN=C(N=C4)NC5=CC=CC(=C5)N

Computed descriptors from PubChem (CID 168476048), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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