PD-161570 - ≥98%(HPLC) , CAS No.192705-80-9

CAS: 192705-80-9 Cat. No.: P135784 분자식: C₂₆H₃₅Cl₂N₇O 분자량: 532.51 EC 번호: 663-331-5 PubChem CID: 5328135

등급 & 순도 ≥98%(HPLC)

Synonyms

DTXSID80416145 | E79105 | HMS3678B11 | 1-tert-Butyl-3-[6-(2,6-dichlorophenyl)-2-[[4- (diethylamino)butyl]amino]pyrido[2,3-d]pyrimidin-7-yl]urea | PD-161570;PD161570 | Rize (TN) | Ac-Bhg-Leu-Asp-Ile-(NMe)Ile-Trp | N-[6-(2,6-Dichlorophenyl)-2-[[4-(diethylam

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

개요

PD-161570은 선택적 FGFR 억제제입니다(IC50 값은 FGFR, PDGFR 및 EGFR에 대해 각각 40, 262 및 3700 nM입니다). PD 161570은 시험관 내에서 FGFR 수용체 인산화(IC50 = 622 nM)와 A121 세포의 성장을 억제합니다.
PD-161570은 선택적 FGFR 억제제입니다(IC50 값은 FGFR, PDGFR 및 EGFR에 대해 각각 40, 262 및 3700 nM입니다). PD 161570은 시험관 내에서 FGFR 수용체 인산화(IC50 = 622 nM)와 A121 세포의 성장을 억제합니다.
선택적 FGFR 억제제

사양

동의어

DTXSID80416145 | E79105 | HMS3678B11 | 1-tert-Butyl-3-[6-(2,6-dichlorophenyl)-2-[[4- (diethylamino)butyl]amino]pyrido[2,3-d]pyrimidin-7-yl]urea | PD-161570;PD161570 | Rize (TN) | Ac-Bhg-Leu-Asp-Ile-(NMe)Ile-Trp | N-[6-(2,6-Dichlorophenyl)-2-[[4-(diethylam

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

선택적 FGFR 억제제(IC50값은 FGFR, PDGFR 및 EGFR에 대해 각각 40, 262 및 3700 nM입니다). 시험관 내에서 FGFR 수용체 인산화(IC50= 622 nM) 및 A121 세포의 성장을 억제합니다.

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

작업 유형

INHIBITOR

순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

504763629

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763629

정식 스마일

CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=C(C=CC=C3Cl)Cl)NC(=O)NC(C)(C)C

IUPAC Name

1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-[4-(diethylamino)butylamino]pyrido[2,3-d]pyrimidin-7-yl]urea

InChIKey

MKVMEJKNLUWFSQ-UHFFFAOYSA-N

INCHI

1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)

이성체 SMILES

CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=C(C=CC=C3Cl)Cl)NC(=O)NC(C)(C)C

WGK 독일

3

PubChem CID

5328135

분자량

532.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyrido[2,3-d]pyrimidines Dichlorobenzenes Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyridine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - 1,3-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Aryl chloride - Benzenoid - Imidolactam - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This 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

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)

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

INSR Tclin Insulin receptor (5558 Activities)

Discover Target: INSR

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PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)

Discover Target: PDGFRB

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

FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

Discover Target: FGFR1

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

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

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HCT-8 (3484 Activities)

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HT-29 (80576 Activities)

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SW-620 (52400 Activities)

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PRKD3 Tchem Protein kinase C (PKC) (1010 Activities)

Discover Target: PRKD3

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

PDGFRB Tclin Platelet-derived growth factor receptor (507 Activities)

Discover Target: PDGFRB

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FGFR3 Tclin Fibroblast growth factor receptor (331 Activities)

Discover Target: FGFR3

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관련 대상(비인간)

Cdk4 Cyclin-dependent kinase 4 (3 Activities)

Discover Target: Cdk4

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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C6 (2371 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Pdgfra Platelet-derived growth factor receptor (PDGFr) (77 Activities)

Discover Target: Pdgfra

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SARS-CoV-2 (38078 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 53.25, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 53.25, Max Conc. mM: 100
• 감도: Air Sensitive,Heat Sensitive
• 녹는점(°C): 157 °C
• 분자량: 532.500 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 531.228 Da
• Monoisotopic Mass: 531.228 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 665.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 192705-80-9, the molecular formula is C26H35Cl2N7O, and the molecular weight is 532.51 g/mol. InChIKey MKVMEJKNLUWFSQ-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.