HS-10296 - Moligand™, ≥98% , Epidermal growth factor receptor erbB1 inhibitor, CAS No.1899921-05-1, Epidermal growth factor receptor erbB1 inhibitor

CAS: 1899921-05-1 Cat. No.: H305278 Fórmula: C₃₀H₃₅N₇O₂ Peso molecular: 525.64

GRADE & PURITY Moligand™, ≥98%

Synonyms

1899921-05-1 | Egfr T790M inhibitor HS-10296 | HS10296 | HS-10296 | N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide | Aumolertinib | T4RS462G19 | T 9033 | SCHEMBL17683063 | Amei

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Specifications

Sinónimos

1899921-05-1 | Egfr T790M inhibitor HS-10296 | HS10296 | HS-10296 | N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide | Aumolertinib | T4RS462G19 | T 9033 | SCHEMBL17683063 | Amei

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

O almonertinib (HS-10296) é um inibidor da mutação de ativação do EGFR e da mutação tolerante do EGFR T790M, que tem apenas uma atividade limitada contra o EGFR de tipo selvagem.

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Epidermal growth factor receptor erbB1 inhibitor

Pureza

≥98%

Propriedades do produto

ALogP

4.2

Nomes e identificadores

Pubchem Sid

504772940

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772940

Sorrisos canónicos

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C5CC5)OC

IUPAC Name

N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide

InChIKey

DOEOECWDNSEFDN-UHFFFAOYSA-N

INCHI

1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)

SMILES isoméricas

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C5CC5)OC

Peso molecular

525.64

Reaxy-Rn

31627071

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31627071&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: 2'-Aminoanilides
• Alternative Parents: N-alkylindoles Methoxyanilines Indoles Aminophenyl ethers Phenoxy compounds N-arylamides Methoxybenzenes Dialkylarylamines Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Acrylic acids and derivatives Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2'-aminoanilide - N-alkylindole - Aminophenyl ether - Methoxyaniline - Indole or derivatives - Indole - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Phenol ether - Anisole - Aminopyrimidine - Alkyl aryl ether - Substituted pyrrole - Pyrimidine - Acrylic acid or derivatives - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2'-aminoanilides. These are organic compounds containing an anilide moieties that carries an amino group at the 2-position of the benzene ring.
• 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)

EGFR Tclin Epidermal growth factor receptor (2 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 525.600 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 525.285 Da
• Monoisotopic Mass: 525.285 Da
• Topological Polar Surface Area: 87.600 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 823.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.

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 1899921-05-1, the molecular formula is C30H35N7O2, and the molecular weight is 525.64 g/mol. InChIKey DOEOECWDNSEFDN-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.