PD158780 - ≥99% , CAS No.171179-06-9

CAS: 171179-06-9 Cat. No.: P1435853 분자식: C₁₄H₁₂N₅Br 분자량: 330.18 EC 번호: 683-576-1 PubChem CID: 4707

GRADE & PURITY ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

PD158780 is a potent EGFR family inhibitor with IC 50 s of 8 pM, 49, 52, 52 nM for EGFR , ErbB2, ErbB3, and ErbB4, respectively.

Specifications

사양 및 순도

≥99%

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

정식 스마일

CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br

IUPAC Name

4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine

InChIKey

KFHMLBXBRCITHF-UHFFFAOYSA-N

INCHI

1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)

이성체 SMILES

CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br

WGK 독일

3

PubChem CID

4707

분자량

330.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridopyrimidines
      • Subclass Pyrido[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridopyrimidines
• Subclass: Pyrido[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[3,4-d]pyrimidines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[3,4-d]pyrimidine - Aniline or substituted anilines - Aminopyridine - Aminopyrimidine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Secondary amine - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- position.
• 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

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 171179-06-9, the molecular formula is C14H12BrN5, and the molecular weight is 330.18 g/mol. InChIKey KFHMLBXBRCITHF-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.