PF-06952229 - ≥99% , CAS No.1801333-55-0

CAS: 1801333-55-0 Cat. No.: P649080 Molecular Weight: 458.91 PubChem CID: 118211239
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
1KKS7U3X86 | SCHEMBL16879380 | 3-Pyridinecarboxamide, 4-((2-(5-chloro-2-fluorophenyl)-5-(1-methylethyl)-4-pyridinyl)amino)-N-(2-hydroxy-1-(hydroxymethyl)ethyl)- | AKOS040734464 | PF06952229 | PF-06952229 | MS-28403 | PF 06952229 [WHO-DD] | BDBM280355 | Sy
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
P649080-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$700.90
10mg
P649080-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,200.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

📚

Literature proof

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

Overview

PF-06952229 is a potent, selective and orally active TGFbR1 inhibitor. PF-06952229 specifically binds to TGFbR1 and prevents TGFbR1-mediated signal transduction. PF-06952229 is a promising antineoplastic agent for the study solid tumors, especifically metastatic breast cancer

In Vivo

PF-06952229 (oral gavage; 30 mg/kg; twice daily; 21 days) combines with Palbociclib 21 days results in an improved inhibition of pSMAD2 in the MCF7 ER + xenograft breast cancer tumor model. This combination also leads to a significant increase in survival relative to PF-06952229 monotherapy . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: MCF-7 ER + HER2-xenograft breast cancer tumor model Dosage: 30 mg/kg Administration: Oral gavage; twice daily; 44 days Result: Resulted in an increase in tumor growth inhibition when combined with Palbociclib.

Form:Solid

IC50& Target:IC50: transforming growth factor-beta receptor 1 (TGFbR1)

Specifications

Synonyms
1KKS7U3X86 | SCHEMBL16879380 | 3-Pyridinecarboxamide, 4-((2-(5-chloro-2-fluorophenyl)-5-(1-methylethyl)-4-pyridinyl)amino)-N-(2-hydroxy-1-(hydroxymethyl)ethyl)- | AKOS040734464 | PF06952229 | PF-06952229 | MS-28403 | PF 06952229 [WHO-DD] | BDBM280355 | Sy
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
PF-06952229 is a potent, selective and orally active TGFbR1 inhibitor. PF-06952229 specifically binds to TGFbR1 and prevents TGFbR1-mediated signal transduction.xa0PF-06952229 is a promising antineoplasticxa0agent for the study solid tumors, especifically
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
≥99%
Names and Identifiers
Canonical SmilesCC(C)C1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NC(CO)CO)C3=C(C=CC(=C3)Cl)F
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyridin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
InChIKeyIPBLCOKXDQHSQW-UHFFFAOYSA-N
INCHI1S/C23H24ClFN4O3/c1-13(2)17-10-27-21(16-7-14(24)3-4-19(16)25)8-22(17)29-20-5-6-26-9-18(20)23(32)28-15(11-30)12-31/h3-10,13,15,30-31H,11-12H2,1-2H3,(H,28,32)(H,26,27,29)
Isomeric SMILES CC(C)C1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NC(CO)CO)C3=C(C=CC(=C3)Cl)F
Alternate CAS 1801333-55-0
PubChem CID 118211239
Molecular Weight 458.91

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassPhenylpyridines
Intermediate Tree Nodes Not available
Direct ParentPhenylpyridines
Alternative Parents Nicotinamides  Fluorobenzenes  Chlorobenzenes  Aminopyridines and derivatives  Aryl fluorides  Aryl chlorides  Vinylogous amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Amino acids and derivatives  Secondary amines  Azacyclic compounds  Primary alcohols  Organopnictogen compounds  Organofluorides  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-phenylpyridine - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Nicotinamide - Halobenzene - Fluorobenzene - Chlorobenzene - Aminopyridine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TGFBR1 Tchem TGF-beta receptor type I (3786 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BMPR1A Tchem Bone morphogenetic protein receptor type-1A (678 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACVR1B Tchem Activin receptor type-1B (1131 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACVRL1 Tchem Serine/threonine-protein kinase receptor R3 (538 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BMPR1B Tchem Bone morphogenetic protein receptor type-1B (563 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
MC-38 (857 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
4T1 (1737 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CT26 (928 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
SolubilityDMSO : 50 mg/mL (108.95 mM; Need ultrasonic)
Molecular Weight458.900 g/mol
XLogP33.400
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass458.152 Da
Monoisotopic Mass458.152 Da
Topological Polar Surface Area107.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity598.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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

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