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Chemical structure of 3-IN-PP1

GC68537

3-IN-PP1

Also known as 1-tert-butyl-3-(1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-IN-PP1 is a protein kinase D (PKD) inhibitor· It has effective and broad PKD inhibitory activity against PKD1, PKD2, and PKD3 with IC50 values of 108, 94, and 108 nM respectively· Additionally, 3-IN-PP1 is a broad-spectrum anticancer agent that inhibits the growth of various tumor cells· It can be used in cancer research

ChemicalCAS2227110-54-3MW306.37FormulaC17H18N6
CAS number
2227110-54-3
Molecular weight
306.37
Formula
C17H18N6
Solubility
DMSO ： 100 mg/mL (326·40 mM; Need ultrasonic)
InChIKey
RBZLXANOQRQGTN-UHFFFAOYSA-N
Catalogue number
GC68537
Brand
GLPBIO
Computed properties PubChem CID 162663243 · XLogP 2.5 · TPSA 85.4 Ų · H-bond donors 2
XLogP
2.5
TPSA
85.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

SMILES CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CNC4=CC=CC=C43)N

Computed descriptors from PubChem (CID 162663243), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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