sunvozertinib - Moligand™ , Inhibitor of Bruton tyrosine kinase;Inhibitor of epidermal growth factor receptor, CAS No.2370013-12-8, Inhibitor of Bruton tyrosine kinase;Inhibitor of epidermal growth factor receptor

CAS: 2370013-12-8 Cat. No.: S613757 PubChem CID: 139377809

GRADE & PURITY Moligand™

Synonyms

EX-A6612 | ASYM-122507 | HY-132842 | sunvozertinib | GLXC-25829 | DZ00000586 | GTPL11672 | Example 52 [WO2019149164A1] | DZD9008 | DZD-9008 | Sunvozertinib [INN] | 2370013-12-8 | UNII-L1Q2K5JYO8 | L1Q2K5JYO8 | MS-30456 | N-{5-[(4-{[5-chloro-4-fluoro-2-(1-

Storage

Room temperature

Specifications

Sinonimi

EX-A6612 | ASYM-122507 | HY-132842 | sunvozertinib | GLXC-25829 | DZ00000586 | GTPL11672 | Example 52 [WO2019149164A1] | DZD9008 | DZD-9008 | Sunvozertinib [INN] | 2370013-12-8 | UNII-L1Q2K5JYO8 | L1Q2K5JYO8 | MS-30456 | N-{5-[(4-{[5-chloro-4-fluoro-2-(1-

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of Bruton tyrosine kinase;Inhibitor of epidermal growth factor receptor

Nomi e identificatori

• Sorrisi canonici: Clc1c(cc(c(Nc2nc(ncc2)Nc2c(cc(c(c2)NC(=O)C=C)N2C[C@@H](CC2)N(C)C)OC)c1)C(C)(C)O)F
• IUPAC Name: N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide
• InChIKey: BTMKEDDEMKKSEF-QGZVFWFLSA-N
• INCHI: 1S/C29H35ClFN7O3/c1-7-27(39)34-22-14-23(25(41-6)15-24(22)38-11-9-17(16-38)37(4)5)35-28-32-10-8-26(36-28)33-21-13-19(30)20(31)12-18(21)29(2,3)40/h7-8,10,12-15,17,40H,1,9,11,16H2,2-6H3,(H,34,39)(H2,32,33,35,36)/t17-/m1/s1
• Isomeri SMILES: CC(C)(C1=CC(=C(C=C1NC2=NC(=NC=C2)NC3=C(C=C(C(=C3)NC(=O)C=C)N4CC[C@H](C4)N(C)C)OC)Cl)F)O
• PubChem CID: 139377809

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: 2'-Aminoanilides Phenylpropanes Aminophenyl ethers Phenoxy compounds N-arylamides Methoxybenzenes Dialkylarylamines Anisoles Aniline and substituted anilines Fluorobenzenes Chlorobenzenes Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Imidolactams Pyrroles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary amines Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrolidine - 2'-aminoanilide - Aminophenyl ether - Anilide - Phenylpropane - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Phenol ether - Anisole - Halobenzene - Fluorobenzene - Chlorobenzene - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

Obiettivi associati (umani)

EGFR Tclin Epidermal growth factor receptor (0 Activities)

Discover Target: EGFR

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

BTK Tclin Tyrosine-protein kinase BTK (0 Activities)

Discover Target: BTK

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

Proprietà chimiche e fisiche

• Peso molecolare: 584.100 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 583.247 Da
• Monoisotopic Mass: 583.247 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 885.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Domande frequenti

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 room temperature.

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

The CAS Number is 2370013-12-8. InChIKey BTMKEDDEMKKSEF-QGZVFWFLSA-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.