WAY-635114 - ≥97% , CAS No.781622-52-4

CAS: 781622-52-4 Cat. No.: W418232 Formule: C₁₃H₁₁N₃OS Poids moléculaire: 257.31 PubChem CID: 3314351

GRADE & PURITY ≥97%

Synonyms

SR-01000057655-1 | SMR000589007 | MLS001177500 | WAY-635114 | Z31200892 | SR-01000057655 | EX-A6341 | SCHEMBL3801680 | DTXSID00391369 | HMS2869C18 | Thieno[2,3-d]pyrimidin-4-amine, N-(2-methoxyphenyl)- | N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

inhibitors of B-Raf kinase

Specifications

Synonymes

SR-01000057655-1 | SMR000589007 | MLS001177500 | WAY-635114 | Z31200892 | SR-01000057655 | EX-A6341 | SCHEMBL3801680 | DTXSID00391369 | HMS2869C18 | Thieno[2,3-d]pyrimidin-4-amine, N-(2-methoxyphenyl)- | N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Propriétés du produit

ALogP

3.184

Nombre de HBD

1

Liaison rotative

3

Noms et identifiants

Pubchem Sid

504762535

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762535

Sourires canoniques

COC1=CC=CC=C1NC2=C3C=CSC3=NC=N2

IUPAC Name

N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

InChIKey

HVRFEOGQRMEPOR-UHFFFAOYSA-N

INCHI

1S/C13H11N3OS/c1-17-11-5-3-2-4-10(11)16-12-9-6-7-18-13(9)15-8-14-12/h2-8H,1H3,(H,14,15,16)

Isomères SMILES

COC1=CC=CC=C1NC2=C3C=CSC3=NC=N2

PubChem CID

3314351

Poids moléculaire

257.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Thiophenes Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - Methoxyaniline - Anisole - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Secondary amine - Azacycle - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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

Cibles associées (humaines)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 257.310 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 257.062 Da
• Monoisotopic Mass: 257.062 Da
• Topological Polar Surface Area: 75.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 279.000
• 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