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PCI 29732

CAT: 0804-HY-18010-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18010-01Size:5 mg
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Description
PCI 29732 is a potent, orally active, reversible BTK inhibitor with Kiapp values of 8.2, 4.6, and 2.5 nM for BTK, Lck and Lyn, respectively. PCI 29732 shows only modest inhibitory activity against Itk, another Tec family kinase. PCI 29732 inhibits the function of ABCG2 by competitively binding to the ATP-binding site of ABCG2[1][2].
CAS Number
330786-25-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
BCRP; Btk
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Protein Tyrosine Kinase/RTK
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/PCI-29732.html
Purity
99.86
Solubility
DMSO : ≥ 53 mg/mL|Ethanol : 10 mg/mL (ultrasonic)
Smiles
NC1=NC=NC2=C1C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN2C5CCCC5
Molecular Formula
C22H21N5O
Molecular Weight
371.44
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Pan Z, et al. Discovery of selective irreversible inhibitors for Bruton's tyrosine kinase. ChemMedChem. 2007 Jan;2 (1) :58-61.|[2]Ge C, et al. PCI29732, a Bruton's Tyrosine Kinase Inhibitor, Enhanced the Efficacy of Conventional Chemotherapeutic Agents in ABCG2-Overexpressing Cancer Cells. Cell Physiol Biochem. 2018;48 (6) :2302-2317.|[3]Honigberg LA, et al. The Bruton tyrosine kinase inhibitor PCI-32765 blocks B-cell activation and is efficacious in models of autoimmune disease and B-cell malignancy. Proc Natl Acad Sci U S A. 2010;107 (29) :13075-13080.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pci 29732

1-Cyclopentyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is an aromatic ether.

CAS Number330786-25-9
PubChem CID22347110
IUPAC Name1-cyclopentyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC22H21N5O
Molecular Weight371.4
XLogP4.2
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity499
SMILES
C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
InChI
InChI=1S/C22H21N5O/c23-21-19-20(26-27(16-6-4-5-7-16)22(19)25-14-24-21)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,23,24,25)
InChIKey
GMJUPMONHWAZCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pci 29732
CAS: 330786-25-9
CID: 22347110
Formula: C22H21N5O
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass371.17461031
Monoisotopic Mass371.17461031
Topological Polar Surface Area78.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T4337-01PCI 29732
B2788-5PCI-29732
A16262-50PCI 29732 50mg
A16262-2PCI 29732 2mg
A16262-25PCI 29732 25mg
A16262-5PCI 29732 5mg
A16262-1PCI 29732 1mg
A16262-100PCI 29732 100mg
A16262-10PCI 29732 10mg

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