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PKI-166 (hydrochloride)

CAT: 0804-HY-110328Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-110328Size:1 Each
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Description
PKI-166 hydrochloride is a potent, selective and orally active EGFR tyrosine kinase inhibitor, with an IC50 of 0.7 nM[1].
CAS Number
2230253-82-2
UNSPSC
12352005
Target
EGFR
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pki-166-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
OC1=CC=C(C2=CC3=C(N=CN=C3N2)N[C@H](C)C4=CC=CC=C4)C=C1.Cl[H]
Molecular Formula
C20H19ClN4O
Molecular Weight
366.84
References & Citations
[1]Bruns CJ, et al. Blockade of the epidermal growth factor receptor signaling by a novel tyrosine kinase inhibitor leads to apoptosis of endothelial cells and therapy of human pancreatic carcinoma. Cancer Res. 2000 Jun 1;60 (11) :2926-35.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PKI-166 (hydrochloride)
CAS Number2230253-82-2
PubChem CID91691117
IUPAC Name4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrochloride
Molecular FormulaC20H19ClN4O
Molecular Weight366.8
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity420
SMILES
C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)O.Cl
InChI
InChI=1S/C20H18N4O.ClH/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15;/h2-13,25H,1H3,(H2,21,22,23,24);1H/t13-;/m1./s1
InChIKey
ZPTWAAIZEGWMGX-BTQNPOSSSA-N
Chemical Structure
2D Structure
2D structure of PKI-166 (hydrochloride)
CAS: 2230253-82-2
CID: 91691117
Formula: C20H19ClN4O
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass366.1247389
Monoisotopic Mass366.1247389
Topological Polar Surface Area73.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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BA6356-25PKI-166
A8505-5PKI-402
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