PF 06465469 - ≥98% , CAS No.1407966-77-1

CAS: 1407966-77-1 Cat. No.: P288334 Molecular Weight: 523.63 EC Number: 802-699-5 PubChem CID: 71450146
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
E98988 | HY-108691 | SCHEMBL22223727 | 1407966-77-1 | AKOS024458306 | Discontinued See A191400 | Discontinued See A191400' | BDBM50399459 | 3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(3-methyl-4-propan-2-ylphenyl)benz
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
P288334-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$216.90
10mg
P288334-10mg
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$335.90
25mg
P288334-25mg
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$756.90
50mg
P288334-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,360.90
100mg
P288334-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,449.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Product description

PF-06465469 is a covalent inhibitor of ITK with an IC50 of 2 nM.


Specifications

Synonyms
E98988 | HY-108691 | SCHEMBL22223727 | 1407966-77-1 | AKOS024458306 | Discontinued See A191400 | Discontinued See A191400' | BDBM50399459 | 3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3, 4-d]pyrimidin-3-yl]-N-(3-methyl-4-propan-2-ylphenyl)benz
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Potent inhibitor of interleukin-2 inducible T cell kinase (ITK) (IC50= 2 nM). Also exhibits inhibitory activity against Bruton's tyrosine kinase (BTK) (IC50= 2 nM). Displays nanomolar potencies in a cell-based IP1 assay and human whole blood assay (IC50va
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=C(C=CC(=C1)NC(=O)C2=CC=CC(=C2)C3=NN(C4=NC=NC(=C34)N)C5CCCN(C5)C(=O)C=C)C(C)C
IUPAC Name3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide
InChIKeyCGJVMKJGKFEHTL-HSZRJFAPSA-N
INCHI1S/C30H33N7O2/c1-5-25(38)36-13-7-10-23(16-36)37-29-26(28(31)32-17-33-29)27(35-37)20-8-6-9-21(15-20)30(39)34-22-11-12-24(18(2)3)19(4)14-22/h5-6,8-9,11-12,14-15,17-18,23H,1,7,10,13,16H2,2-4H3,(H,34,39)(H2,31,32,33)/t23-/m1/s1
Isomeric SMILES CC1=C(C=CC(=C1)NC(=O)C2=CC=CC(=C2)C3=NN(C4=NC=NC(=C34)N)[C@@H]5CCCN(C5)C(=O)C=C)C(C)C
PubChem CID 71450146
Molecular Weight 523.63

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Aromatic anilides
Direct ParentBenzanilides
Alternative Parents Phenylpyrazoles  Benzamides  Pyrazolo[3,4-d]pyrimidines  Phenylpropanes  Cumenes  N-acylpiperidines  Benzoyl derivatives  Toluenes  Aminopyrimidines and derivatives  Imidolactams  Heteroaromatic compounds  Tertiary carboxylic acid amides  Acrylic acids and derivatives  Secondary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Carbonyl compounds  Primary amines  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzanilide - Phenylpyrazole - Phenylpropane - Pyrazolopyrimidine - N-acyl-piperidine - Cumene - Benzoic acid or derivatives - Benzamide - Pyrazolo[3,4-d]pyrimidine - Benzoyl - Toluene - Aminopyrimidine - Imidolactam - Piperidine - Pyrimidine - Pyrazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Acrylic acid or derivatives - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ITK Tclin Tyrosine-protein kinase ITK/TSK (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BTK Tclin Tyrosine-protein kinase BTK (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ITK Tclin Tyrosine-protein kinase ITK/TSK (3699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 2.62, Max Conc. mM: 5 with gentle warming
Molecular Weight523.600 g/mol
XLogP34.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass523.27 Da
Monoisotopic Mass523.27 Da
Topological Polar Surface Area119.000 Ų
Heavy Atom Count39
Formal Charge0
Complexity883.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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