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Chemical structure of DOCK2-IN-1

GC68995

DOCK2-IN-1

Also known as (4E)-4-[(2-chlorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

DOCK2-IN-1 (compound 3) is a CPYPP analog and also an inhibitor of DOCK2 (IC50=19·1 μM)· DOCK2-IN-1 binds reversibly to the DHR-2 domain of DOCK2 to inhibit its catalytic activity· DOCK2-IN-1 blocks the activation of Rac mediated by chemokine receptors and antigen receptors in lymphocytes· DOCK2-IN-1 significantly inhibits chemotaxis and T cell activation

ChemicalCAS4590-86-7MW298.72FormulaC16H11ClN2O2
CAS number
4590-86-7
Molecular weight
298.72
Formula
C16H11ClN2O2
Solubility
DMSO ： 125 mg/mL (418·45 mM; Need ultrasonic)
InChIKey
VEBASGXAFMQOLL-JLHYYAGUSA-N
Catalogue number
GC68995
Brand
GLPBIO
Computed properties PubChem CID 5750959 · XLogP 3.4 · TPSA 49.4 Ų · H-bond donors 1
XLogP
3.4
TPSA
49.4 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21

SMILES C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3Cl)/C(=O)N2

Computed descriptors from PubChem (CID 5750959), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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