PF-4989216(Cas No 1276553-09-3) ≥99% high purity and research grade

Name: PF-4989216 - ≥99% , CAS No.1276553-09-3
SKU: P413810
Availability: InStock

PF-4989216 - ≥99% , CAS No.1276553-09-3

CAS: 1276553-09-3 Cat. No.: P413810 分子式: C₁₈H₁₃FN₆OS 分子量: 380.4 PubChem CID: 51033720

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PF-4989216 - ≥99% CAS No(1276553-09-3) by Aladdin Scientific

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注文可能

GRADE & PURITY ≥99%

Synonyms

4-(4-cyano-2-fluorophenyl)-2-morpholino-5-(2H-1,2,4-triazol-3-yl)thiophene-3-carbonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要 Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビューよくある質問

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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.

概要

Information

PF-4989216 is a potent and selectivePI3Kinhibitor withIC50of 2 nM, 142 nM, 65 nM, 1 nM, and 110 nM for p110α, p110β, p110γ, p110δ, and VPS34, respectively.

Targets

p110δ (Cell-free assay); p110α (Cell-free assay); p110γ (Cell-free assay) 1 nM; 2 nM; 65 nM

In vitro

PF-4989216 significantly inhibits cell viability in SCLC cells with a PIK3CA mutation, such as NCI-H69, NCI-H1048, and Lu99A cells. PF-4989216, via PI3K signaling inhibition, blocks cell-cycle progression and reduces cell transformation in SCLCs. In SCLCs with PIK3CA mutation, PF-4989216 induces BIM-mediated apoptosis.

In vivo

In SCID mice bearing NCI-H69 or NCI-H1048 xenograft tumors, PF-4989216 (350 mg/kg, p.o.) inhibits PI3K phosphorylation signaling and induces antitumor activity.

Cell Research(from reference)

Cell lines：NCI-H69, NCI-H1048, NCI-H1436, NCI-H82, NCI-H254, NCI-H526, NCI-H1963, NCI-H146, NCI-H841, Lu99A, Lu134B, and Lu134A cells.

Concentrations：~10 μM

Incubation Time：72 hours

Specifications

同義語

4-(4-cyano-2-fluorophenyl)-2-morpholino-5-(2H-1,2,4-triazol-3-yl)thiophene-3-carbonitrile

仕様と純度

≥99%

生化学的・生理学的メカニズム

PF-4989216 is a potent and selective PI3K inhibitor with IC50 of 2 nM, 142 nM, 65 nM, 1 nM, and 110 nM for p110α, p110β, p110γ, p110δ, and VPS34, respectively.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

製品の性質

ALogP

2.924

HBD数

回転可能な結合

名前と識別子

パブケム・シド

504771003

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504771003

カノニカル・スマイル

C1COCCN1C2=C(C(=C(S2)C3=NC=NN3)C4=C(C=C(C=C4)C#N)F)C#N

IUPAC Name

4-(4-cyano-2-fluorophenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile

InChIKey

MUENOTXSRZEFJV-UHFFFAOYSA-N

INCHI

1S/C18H13FN6OS/c19-14-7-11(8-20)1-2-12(14)15-13(9-21)18(25-3-5-26-6-4-25)27-16(15)17-22-10-23-24-17/h1-2,7,10H,3-6H2,(H,22,23,24)

異性体SMILES

C1COCCN1C2=C(C(=C(S2)C3=NC=NN3)C4=C(C=C(C=C4)C#N)F)C#N

PubChem CID

51033720

分子量

380.4

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 分類 Thiophenes
    - Subclass Aminothiophenes
      - Level5 2-aminothiophenes
        Level6 3,4,5-trisubstituted-2-aminothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Thiophenes
Subclass	Aminothiophenes
Intermediate Tree Nodes	2-aminothiophenes
Direct Parent	3,4,5-trisubstituted-2-aminothiophenes
Alternative Parents	Dialkylarylamines Benzonitriles Fluorobenzenes Morpholines Aryl fluorides Triazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3,4,5-trisubstituted-2-aminothiophene - Benzonitrile - Dialkylarylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Azole - Heteroaromatic compound - 1,2,4-triazole - Oxacycle - Dialkyl ether - Ether - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

Lot Number	Certificate Type	日付	商品
G2206222	Certificate of Analysis	Apr 03, 2025	P413810
G2206223	Certificate of Analysis	Apr 03, 2025	P413810
G2206224	Certificate of Analysis	Apr 03, 2025	P413810

溶解度	Solubility (25°C) In vitro DMSO: 76 mg/mL (199.78 mM); Ethanol: 7 mg/mL warmed with 50ºC Water: bath (18.4 mM); Water: Insoluble;
DMSO（mg / mL）最大溶解度	76
DMSO（mM）最大溶解度	199.7896951
水（mg / mL）最大溶解度	＜1
分子量	380.400 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	380.086 Da
Monoisotopic Mass	380.086 Da
Topological Polar Surface Area	130.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	628.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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レビュー

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1276553-09-3, the molecular formula is C18H13FN6OS, and the molecular weight is 380.4 g/mol. InChIKey MUENOTXSRZEFJV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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