TX2-121-1 - Moligand™ , Inhibitor of erb-b2 receptor tyrosine kinase 3, CAS No.T614592, Inhibitor of erb-b2 receptor tyrosine kinase 3

CAS: T614592 Cat. No.: T614592 PubChem CID: 78243759

GRADE & PURITY Moligand™

Synonyms

conjugate 2e

Storage

Room temperature

Specifications

Sinónimos

conjugate 2e

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of erb-b2 receptor tyrosine kinase 3

Nomes e identificadores

Sorrisos canónicos

C=CC(=O)Nc1cc(ccc1Oc1ccccc1)c1nn(c2c1c(N)ncn2)C1CCN(CC1)CCNC(=O)[C@@H](CCC12CC3CC(C2)CC(C1)C3)C

IUPAC Name

(2R)-4-(1-adamantyl)-N-[2-[4-[4-amino-3-[4-phenoxy-3-(prop-2-enoylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethyl]-2-methylbutanamide

InChIKey

GKJWHLDKQULMHJ-PZMWFESPSA-N

INCHI

1S/C42H52N8O3/c1-3-36(51)47-34-22-31(9-10-35(34)53-33-7-5-4-6-8-33)38-37-39(43)45-26-46-40(37)50(48-38)32-12-16-49(17-13-32)18-15-44-41(52)27(2)11-14-42-23-28-19-29(24-42)21-30(20-28)25-42/h3-10,22,26-30,32H,1,11-21,23-25H2,2H3,(H,44,52)(H,47,51)(H2,43,45,46)/t27-,28?,29?,30?,42?/m1/s1

SMILES isoméricas

C[C@H](CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC(=C(C=C7)OC8=CC=CC=C8)NC(=O)C=C)N

PubChem CID

78243759

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenylpyrazoles Anilides Pyrazolo[3,4-d]pyrimidines N-arylamides Phenoxy compounds Phenol ethers Aminopyrimidines and derivatives Imidolactams N-acyl amines Piperidines Acrylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenylpyrazole - Pyrazolopyrimidine - Anilide - Pyrazolo[3,4-d]pyrimidine - Phenol ether - Phenoxy compound - N-arylamide - Aminopyrimidine - Fatty amide - N-acyl-amine - Piperidine - Pyrimidine - Imidolactam - Fatty acyl - Pyrazole - Azole - Heteroaromatic compound - Acrylic acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Alvos associados (humanos)

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)

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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

The CAS Number is T614592. InChIKey GKJWHLDKQULMHJ-PZMWFESPSA-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.