PF-06459988 - ≥99% , Epidermal growth factor receptor erbB1 inhibitor, CAS No.1428774-45-1, Epidermal growth factor receptor erbB1 inhibitor

CAS: 1428774-45-1 Cat. No.: P650754 분자식: C₁₉H₂₂ClN₇O₃ 분자량: 431.88 PubChem CID: 71535003

GRADE & PURITY ≥99%

Synonyms

PF-06459988, >=98% (HPLC) | 1428774-45-1 | BDBM50159360 | PF-06459988 | 5IE92SK9EB | EX-A2705 | 1-((3R,4R)-3-(((5-Chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)methyl)-4-methoxy-1-pyrrolidinyl)-2-propen-1-one | NSC810341 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

PF-06459988 is an orally activity, irreversible and mutant-selective inhibitor of EGFR mutant forms. PF-06459988 demonstrates high potency and specificity to the T790M-containing double mutant EGFRs. PF-06459988 can be used for the research of cancer

In Vitro

PF-06459988 (0-10 μM; 2 h) shows good cellular potency to NSCLC cell lines and high selectivity between the potent target and WT EGFR. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Cytotoxicity AssayCell Line: NSCLC cell lines Concentration: 0-10 μM Incubation Time: 2 hours Result: Exibited excellent cellular potency to H1975 (L858R/T790M), PC9-DRH (Del/T790M), H3255 (L858R), PC9 (Del), HCC827 (Del) and A549 (WT) cell lines with IC 50 values of 13, 7, 21, 140, 90 and 5100 nM, respectively. Showed high specificity to T790M-containing double mutan EGFRs.

Form:Solid

IC50& Target:IC50: 45 nM (H1975 EGFR), 3.3 μM (EGFR)

Specifications

동의어

PF-06459988, >=98% (HPLC) | 1428774-45-1 | BDBM50159360 | PF-06459988 | 5IE92SK9EB | EX-A2705 | 1-((3R,4R)-3-(((5-Chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)methyl)-4-methoxy-1-pyrrolidinyl)-2-propen-1-one | NSC810341 |

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

PF-06459988 is an orally activity, irreversible and mutant-selective inhibitor of EGFR mutant forms. PF-06459988 demonstrates high potency and specificity to the T790M-containing double mutant EGFRs. PF-06459988 can be used for the research of cancer

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

작동 메커니즘

Epidermal growth factor receptor erbB1 inhibitor

순수함

≥99%

제품 특성

• ALogP: 1.8

이름과 식별자

• 정식 스마일: CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OCC4CN(CC4OC)C(=O)C=C
• IUPAC Name: 1-[(3R,4R)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxymethyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one
• InChIKey: ODMXWZROLKITMS-RISCZKNCSA-N
• INCHI: 1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1
• 이성체 SMILES: CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OC[C@H]4CN(C[C@@H]4OC)C(=O)C=C
• PubChem CID: 71535003
• 분자량: 431.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyrrolopyrimidines
      • Subclass Pyrrolo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: N-acylpyrrolidines Alkyl aryl ethers Aminopyrimidines and derivatives Substituted pyrroles Aryl chlorides Acrylic acids and derivatives Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organochlorides Amines Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - N-acylpyrrolidine - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Substituted pyrrole - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Acrylic acid or derivatives - Pyrrolidine - Pyrrole - Pyrazole - Azole - Heteroaromatic compound - Carboxamide group - Ether - Azacycle - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
• External Descriptors: Not available

Data sources

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

관련 대상(인간)

ERBB3 Tclin Receptor tyrosine-protein kinase erbB-3 (1 Activities)

Discover Target: ERBB3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor (5 Activities)

Discover Target: EGFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H1975 (4994 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERBB3 Tclin Receptor tyrosine-protein kinase erbB-3 (297 Activities)

Discover Target: ERBB3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERBB2 Tclin Epidermal growth factor receptor (487 Activities)

Discover Target: ERBB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Liver microsome (341 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 50 mg/mL (115.77 mM; Need ultrasonic)
• 분자량: 431.900 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 431.147 Da
• Monoisotopic Mass: 431.147 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 629.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

자주 묻는 질문

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 1428774-45-1, the molecular formula is C19H22ClN7O3, and the molecular weight is 431.88 g/mol. InChIKey ODMXWZROLKITMS-RISCZKNCSA-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.