Org41841 - Moligand™,≥99% , CAS No.301847-37-0

CAS: 301847-37-0 Cat. No.: O648726 Peso molecular: 402.53 PubChem CID: 9887381

GRADE & PURITY Moligand™, ≥99%

Synonyms

cid_9887381 | 5-amino-N-tert-butyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide | CHEBI:93615 | tert-Butyl 5-amino-2-methylthio-4-(3-methoxyphenyl)-thieno[2,3-d]pyrimidine-6-carboxamide | DVSFSADBOJYPGF-UHFFFAOYSA-N | HY-10027

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Functional assays demonstrate that Org41841 is a partial agonist of both luteinizing hormone/chorionic gonadotropin receptor (LHCGR) and thyroid-stimulating hormone receptor (TSHR) with EC 50 s of 0.2 and 7.7 μM, respectively. Treatment of L570F with Org41841 reveals an improved EC 50 of 800 nM. M9 responds to Org41841 with an improved EC 50 of 2700 nM and a greatly improved efficacy for signaling to 99% of the maximal value observed for thyroid-stimulating hormone (TSH) stimulation of thyroid-stimulating hormone receptor (TSHR).

Specifications

Sinónimos

cid_9887381 | 5-amino-N-tert-butyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2, 3-d]pyrimidine-6-carboxamide | CHEBI:93615 | tert-Butyl 5-amino-2-methylthio-4-(3-methoxyphenyl)-thieno[2, 3-d]pyrimidine-6-carboxamide | DVSFSADBOJYPGF-UHFFFAOYSA-N | HY-10027

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Org41841 is a partial agonist of both luteinizing hormone/chorionic gonadotropin receptor (LHCGR) and thyroid-stimulating hormone receptor (TSHR) with EC50s of 0.2 and 7.7 μM, respectively.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N
• IUPAC Name: 5-amino-N-tert-butyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
• InChIKey: DVSFSADBOJYPGF-UHFFFAOYSA-N
• INCHI: 1S/C19H22N4O2S2/c1-19(2,3)23-16(24)15-13(20)12-14(10-7-6-8-11(9-10)25-4)21-18(26-5)22-17(12)27-15/h6-9H,20H2,1-5H3,(H,23,24)
• Isómeros SMILES: CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N
• CAS alternativo: 301847-37-0
• PubChem CID: 9887381
• Términos de entrada MeSH: Org 41841;Org-41841;Org41841
• Peso molecular: 402.53

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Thienopyrimidines Pyrimidinecarboxamides Thiophene carboxamides 2-heteroaryl carboxamides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Aminothiophenes Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Organic oxides Organopnictogen compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyrimidine - 5-phenylpyrimidine - Pyrimidinecarboxamide - Thienopyrimidine - Anisole - Phenol ether - 2-heteroaryl carboxamide - Phenoxy compound - Aryl thioether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aminothiophene - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organopnictogen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

LHCGR Tclin Luteinizing hormone/Choriogonadotropin receptor (373 Activities)

Discover Target: LHCGR

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

SENP1 Tchem Sentrin-specific protease 1 (681 Activities)

Discover Target: SENP1

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

APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)

Discover Target: APOBEC3F

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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (248.43 mM; Need ultrasonic)
• Peso molecular: 402.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 402.118 Da
• Monoisotopic Mass: 402.118 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 530.000
• 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