vociprotafib - Moligand™ , Inhibitor of protein tyrosine phosphatase non-receptor type 11, CAS No.2172652-48-9, Inhibitor of protein tyrosine phosphatase non-receptor type 11

CAS: 2172652-48-9 Cat. No.: V614768 PubChem CID: 134182831

QUALITÀ & PUREZZA Moligand™

Synonyms

(6-((2-Amino-3-chloropyridin-4-yl)sulfanyl)-3-((3S,4S)-4-amino- 3-methyl-2-oxa-8-azaspiro(4.5)decan-8-yl)- 5-methylpyrazin-2-yl)methanol | RMC4630 | RMC-4630 | MS-28187 | compound A-290 [WO2018013597A1] | HY-141523 | UNII-C4YBF9170L | EX-A5486 | RMC 4630

Storage

Room temperature

Specifiche

Sinonimi

(6-((2-Amino-3-chloropyridin-4-yl)sulfanyl)-3-((3S,4S)-4-amino- 3-methyl-2-oxa-8-azaspiro(4.5)decan-8-yl)- 5-methylpyrazin-2-yl)methanol | RMC4630 | RMC-4630 | MS-28187 | compound A-290 [WO2018013597A1] | HY-141523 | UNII-C4YBF9170L | EX-A5486 | RMC 4630

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of protein tyrosine phosphatase non-receptor type 11

Nomi e identificatori

Sorrisi canonici

C[C@H]1[C@H](C2(CCN(CC2)c2nc(c(nc2CO)Sc2c(c(ncc2)N)Cl)C)CO1)N

IUPAC Name

[6-(2-amino-3-chloropyridin-4-yl)sulfanyl-3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methylpyrazin-2-yl]methanol

InChIKey

HISJAYUQVHMWTA-BLLLJJGKSA-N

INCHI

1S/C20H27ClN6O2S/c1-11-19(30-14-3-6-24-17(23)15(14)21)26-13(9-28)18(25-11)27-7-4-20(5-8-27)10-29-12(2)16(20)22/h3,6,12,16,28H,4-5,7-10,22H2,1-2H3,(H2,23,24)/t12-,16+/m0/s1

Isomeri SMILES

C[C@H]1[C@H](C2(CCN(CC2)C3=NC(=C(N=C3CO)SC4=C(C(=NC=C4)N)Cl)C)CO1)N

PubChem CID

134182831

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Azaspirodecane derivatives Polyhalopyridines Dialkylarylamines Methylpyridines Hydroxypyridines Aminopyrazines 2-halopyridines Piperidines Imidolactams Tetrahydrofurans Secondary ketimines Heteroaromatic compounds Thioenol ethers Vinyl chlorides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Chloroalkenes Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - Azaspirodecane - Polyhalopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2-halopyridine - Methylpyridine - Hydroxypyridine - Aminopyrazine - Imidolactam - Pyridine - Pyrazine - Piperidine - Heteroaromatic compound - Tetrahydrofuran - Secondary ketimine - Thioenolether - Tertiary amine - Ketimine - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl halide - Vinyl chloride - Ether - Dialkyl ether - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Imine - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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)

PTPN11 Tchem Tyrosine-protein phosphatase non-receptor type 11 (0 Activities)

Discover Target: PTPN11

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

Proprietà chimiche e fisiche

• Peso molecolare: 451.000 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 450.16 Da
• Monoisotopic Mass: 450.16 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 583.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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 2172652-48-9. InChIKey HISJAYUQVHMWTA-BLLLJJGKSA-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.