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Chemical structure of PKD-IN-1 dihydrochloride

GC69714

PKD-IN-1 dihydrochloride

Also known as 2-[4-[[(2R)-2-aminobutyl]amino]quinazolin-2-yl]-4-chlorophenol;dihydrochloride

PKD-IN-1 dihydrochloride (compound 32) is an aminoethylaminobenzyl (AEAA) compound that can be used as a PKD-1 inhibitor· PKD-IN-1 can be used in research on diseases mediated by protein kinase D (PKD)

ChemicalCAS2308510-39-4MW415.74FormulaC18H21Cl3N4O
CAS number
2308510-39-4
Molecular weight
415.74
Formula
C18H21Cl3N4O
Solubility
DMSO : 35·71 mg/mL (85·90 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ASWGDWBLOLWOED-CURYUGHLSA-N
Catalogue number
GC69714
Brand
GLPBIO
Computed properties PubChem CID 136661872 · TPSA 84.1 Ų · H-bond donors 5 · H-bond acceptors 5
TPSA
84.1 Ų
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

SMILES CC[C@H](CNC1=NC(=NC2=CC=CC=C21)C3=C(C=CC(=C3)Cl)O)N.Cl.Cl

Computed descriptors from PubChem (CID 136661872), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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