StemRegenin 1 (SR1) - ≥97% , CAS No.1227633-49-9

CAS: 1227633-49-9 Cat. No.: S129931 Peso molecular: 429.537

GRADE & PURITY ≥97%

Synonyms

UNII-RNE1V1F9O1 | 4-[2-[[2-(3-Benzothienyl)-9-isopropyl-9H-purin-6-yl]amino]ethyl]phenol | J-690075 | Phenol, 4-[2-[[2-benzo[b]thien-3-yl-9-(1-methylethyl)-9H-purin-6-yl]amino]ethyl]- | StemRegenin 1 (SR1) | MFCD16987861 | SY052277 | 4-(2-((2-(benzo[b]thi

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

UNII-RNE1V1F9O1 | 4-[2-[[2-(3-Benzothienyl)-9-isopropyl-9H-purin-6-yl]amino]ethyl]phenol | J-690075 | Phenol, 4-[2-[[2-benzo[b]thien-3-yl-9-(1-methylethyl)-9H-purin-6-yl]amino]ethyl]- | StemRegenin 1 (SR1) | MFCD16987861 | SY052277 | 4-(2-((2-(benzo[b]thi

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Description:
The compound StemRegenin 1 (SR1) is a selective, cell permeable, small molecule that promotes the self-renewal of human hematopoietic stem cells in culture. SR1 is an antagonist of the aryl hydrocarbon receptor.SR1 is th

Condiciones de almacenamiento de almacenamiento

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.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504770676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770676
• Sonrisas canónicas: CC(C)N1C=NC2=C(N=C(N=C21)C3=CSC4=CC=CC=C43)NCCC5=CC=C(C=C5)O
• IUPAC Name: 4-[2-[[2-(1-benzothiophen-3-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
• InChIKey: BGFHMYJZJZLMHW-UHFFFAOYSA-N
• INCHI: 1S/C24H23N5OS/c1-15(2)29-14-26-21-23(25-12-11-16-7-9-17(30)10-8-16)27-22(28-24(21)29)19-13-31-20-6-4-3-5-18(19)20/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,27,28)
• Isómeros SMILES: CC(C)N1C=NC2=C(N=C(N=C21)C3=CSC4=CC=CC=C43)NCCC5=CC=C(C=C5)O
• Peso molecular: 429.537

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 6-aminopurines
          • Level6 6-alkylaminopurines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: 6-aminopurines
• Direct Parent: 6-alkylaminopurines
• Alternative Parents: 1-benzothiophenes Aminopyrimidines and derivatives 1-hydroxy-2-unsubstituted benzenoids N-substituted imidazoles Imidolactams Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-alkylaminopurine - Benzothiophene - 1-benzothiophene - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Thiophene - Heteroaromatic compound - Azole - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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)

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: ≥21.5 mg/mL in DMSO; insoluble in H2O; ≥3.41 mg/mL in EtOH with ultrasonic
• Peso molecular: 429.500 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 429.162 Da
• Monoisotopic Mass: 429.162 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 586.000
• 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