PF-06843195 - ≥99% , CAS No.2067281-51-8

CAS: 2067281-51-8 Cat. No.: P651820 Peso molecular: 498.46 PubChem CID: 124193915
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
75658JDG29 | VXY | PF06843195 | PF-06843195 | HY-131972 | 1-Pyrrolidinecarboxylic acid, 3-((2'-amino-5-fluoro-2-(4-morpholinyl)(4,5'-bipyrimidin)-6-yl)amino)-3-(hydroxymethyl)-, 2,2-difluoroethyl ester, (3S)- | UNII-75658JDG29 | 2067281-51-8 | compound 1
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Estado
Price
Qty
5mg
P651820-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
160,90US$
10mg
P651820-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
300,90US$
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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.

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Literature proof

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

Descripción general

PF-06843195 is a highly selective PI3Kα inhibitor with an IC 50 of 18 nM in Rat1 fibroblasts. The K i s of PF-06843195 for PI3Kα and PI3Kδ in biochemical kinase assay are less than 0.018 nM and 0.28 nM, respectively. PF-06843195 has great suppression of the PI3K/mTOR signaling pathway and durable antitumor efficacy

In Vitro

PF-06843195 inhibits the breast cancer cell lines MCF7 and T47D proliferation with IC 50 s of 62 nM and 32 nM, respectively. PF-06843195 inhibits pAKT (T308) in MCF7 and T47D cells with IC 50 s of 7.8 nM and 8.7 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In rats, PF-06843195 can rapidly and quantitatively transform from PF-06862309 . PF-06843195 exhibits oral bioavailability (rat 25 %) following oral administration (rat 10 mg/kg) . PF-06843195 exhibits a moderate half-life (rat 3.6 h) due to high plasma clearance (30 mL/min/kg) combined with large volumes of distribution (3.0 L/kg) following intravenous administration (rat 2 mg/kg) . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Wistar Han Rats Dosage: 2 mg/kg (intravenous) and 10 mg/kg (oral gavage)(Pharmacokinetic Analysis) Administration: Intravenous (IV) or oral gavage (PO) Result: T 1/2 of 3.6 h for rats.

Form:Solid

IC50& Target:PI3Kα 18 nM (IC 50 , in Rat1 fibroblasts) PI3Kβ 360 nM (IC 50 , in Rat1 fibroblasts) PI3Kδ 160 nM (IC 50 , in Rat1 fibroblasts) PI3Kα 0.018 nM (Ki) PI3Kδ 0.28 nM (Ki)

Specifications

Sinónimos
75658JDG29 | VXY | PF06843195 | PF-06843195 | HY-131972 | 1-Pyrrolidinecarboxylic acid, 3-((2'-amino-5-fluoro-2-(4-morpholinyl)(4, 5'-bipyrimidin)-6-yl)amino)-3-(hydroxymethyl)-, 2, 2-difluoroethyl ester, (3S)- | UNII-75658JDG29 | 2067281-51-8 | compound 1
Especificaciones y pureza
≥99%
Mecanismos bioquímicos y fisiológicos
PF-06843195 is a highly selective PI3Kα inhibitor with an IC 50 of 18 nM in Rat1 fibroblasts. The K i s of PF-06843195 for PI3Kα and PI3Kδ in biochemical kinase assay are less than 0.018 nM and 0.28 nM, respectively. PF-06843195 has great suppression of t
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasC1CN(CC1(CO)NC2=NC(=NC(=C2F)C3=CN=C(N=C3)N)N4CCOCC4)C(=O)OCC(F)F
IUPAC Name2,2-difluoroethyl (3S)-3-[[6-(2-aminopyrimidin-5-yl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-yl]amino]-3-(hydroxymethyl)pyrrolidine-1-carboxylate
InChIKeyRTOREZYNLPQUKM-FQEVSTJZSA-N
INCHI1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1
Isómeros SMILES C1CN(C[C@@]1(CO)NC2=NC(=NC(=C2F)C3=CN=C(N=C3)N)N4CCOCC4)C(=O)OCC(F)F
CAS alternativo 2067281-51-8
PubChem CID 124193915
Peso molecular 498.46

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.

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📊 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
SuperclassOrganoheterocyclic compounds
ClasePyrrolidines
SubclassPyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyrrolidine carboxylic acids
Alternative Parents Dialkylarylamines  Secondary alkylarylamines  Halopyrimidines  Aminopyrimidines and derivatives  Morpholines  Imidolactams  Aryl fluorides  Heteroaromatic compounds  Carbamate esters  Organic carbonic acids and derivatives  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Primary amines  Primary alcohols  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Dialkylarylamine - Pyrrolidine carboxylic acid - Secondary aliphatic/aromatic amine - Halopyrimidine - Aminopyrimidine - Imidolactam - Pyrimidine - Oxazinane - Morpholine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Oxacycle - Azacycle - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3R1 Tchem PI3-kinase p110-delta/p85-alpha (1508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3R1 Tchem PI3-kinase p110-alpha/p85-alpha (2589 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
PIK3CA PI3-kinase p110-alpha subunit (51 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadDMSO : 62.5 mg/mL (125.39 mM; ultrasonic and warming and heat to 60°C)
Peso molecular498.500 g/mol
XLogP30.400
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass498.195 Da
Monoisotopic Mass498.195 Da
Topological Polar Surface Area152.000 Ų
Heavy Atom Count35
Formal Charge0
Complexity701.000
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
Calculadoras de soluciones
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