WAY-312133 - 10mM in DMSO , CAS No.63894-03-1

CAS: 63894-03-1 Cat. No.: W425242 Formula: C₁₄H₁₁N₃O₂S Peso molecolare: 285.32 PubChem CID: 2457290

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

MLS001177537|N-(3,4-Dimethoxybenzyl)thieno[2,3-d]pyrimidin-4-amine|SMR000591571|N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine|63894-03-1|SCHEMBL7404118|CHEMBL1608707|BDBM59557|cid_2457290|DTXSID201325940|HMS2887H06|AKOS008923633|thieno[2,3

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

ubiquitin ligase inhibitors

Specifiche

Sinonimi

MLS001177537 | N-(3,4-Dimethoxybenzyl)thieno[2,3-d]pyrimidin-4-amine | SMR000591571 | N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine | 63894-03-1 | SCHEMBL7404118 | CHEMBL1608707 | BDBM59557 | cid_2457290 | DTXSID201325940 | HMS2887H06 | AKOS008923633 | thieno[2,3

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Proprietà del prodotto

ALogP

2.073

Conteggio HBD

1

Legame rotabile

3

Nomi e identificatori

Pubchem Sid

528767858

Sorrisi canonici

COC1=C(C=C(C=C1)CNC2=C3C=CSC3=NC=N2)OC

IUPAC Name

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

InChIKey

YXYGDMMEZDEEIS-UHFFFAOYSA-N

INCHI

1S/C15H15N3O2S/c1-19-12-4-3-10(7-13(12)20-2)8-16-14-11-5-6-21-15(11)18-9-17-14/h3-7,9H,8H2,1-2H3,(H,16,17,18)

Isomeri SMILES

COC1=C(C=C(C=C1)CNC2=C3C=CSC3=NC=N2)OC

PubChem CID

2457290

Peso molecolare

285.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Thienopyrimidines Phenoxy compounds Benzylamines Anisoles Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Thiophenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Thienopyrimidine - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy 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)

TNF Tclin TNF-alpha (1897 Activities)

Discover Target: TNF

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

HEK293 (82097 Activities)

Explore this target

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

NOD1 Tchem Nucleotide-binding oligomerization domain-containing protein 1 (1322 Activities)

Discover Target: NOD1

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

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

Obiettivi associati (non umani)

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 301.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 301.088 Da
• Monoisotopic Mass: 301.088 Da
• Topological Polar Surface Area: 84.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 334.000
• 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