VER-82576 - ≥98% , CAS No.847559-80-2

CAS: 847559-80-2 Cat. No.: V1427991 Formula: C₂₁H₂₃Cl₂N₅O₂S Peso molecolare: 480.42 PubChem CID: 25210273

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

VER-82576 (NVP-BEP800) is a potent, orally available and selective Hsp90 inhibitor, with an IC 50 of 58 nM for Hsp90β; VER-82576 also slightly blocks Grp94 and Trap-1, with IC 50 s of 4.1 and 5.5 μM, respectively.

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCNC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=CC(=C(C=C3Cl)Cl)OCCN4CCCC4
• IUPAC Name: 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
• InChIKey: WJUNQSYQHHIVFX-UHFFFAOYSA-N
• INCHI: 1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)
• Isomeri SMILES: CCNC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=CC(=C(C=C3Cl)Cl)OCCN4CCCC4
• PubChem CID: 25210273
• Peso molecolare: 480.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Pyrimidinecarboxamides Thienopyrimidines Dichlorobenzenes 2-heteroaryl carboxamides Phenol ethers Phenoxy compounds 2,3,5-trisubstituted thiophenes Thiophene carboxamides Alkyl aryl ethers Aminopyrimidines and derivatives Aryl chlorides N-alkylpyrrolidines Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyrimidine - 5-phenylpyrimidine - Pyrimidinecarboxamide - Thienopyrimidine - 2-heteroaryl carboxamide - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - 2,3,5-trisubstituted thiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Thiophene - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Primary amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Domande frequenti

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.

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 847559-80-2, the molecular formula is C21H23Cl2N5O2S, and the molecular weight is 480.42 g/mol. InChIKey WJUNQSYQHHIVFX-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.