Longdaysin - ≥98% , CAS No.1353867-91-0

CAS: 1353867-91-0 Cat. No.: L413529 Fórmula: C₁₆H₁₆F₃N₅ Peso molecular: 335.33 Número CE: 106-437-4

GRADE & PURITY ≥98%

Synonyms

9-isopropyl-N-(3-(trifluoromethyl)benzyl)-9H-purin-6-amine | 9H-​Purin-​6-​amine,9-​(1-​methylethyl)​-​N-​[[3-​(trifluoromethyl)​phenyl]​methyl]​-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Longdaysin Longdaysin is a Casein Kinase inhibitor with IC50 values of 8.8 μM, 5.6 μM, 52 μM and 29 μM for CKIδ, CKIα, ERK2 and CDK7.

Targets

CKIα (Cell-free assay); CKIδ (Cell-free assay); CDK7 (Cell-free assay); CDK7 (Cell-free assay); ERK2 (Cell-free assay) 5.6 μM; 8.8 μM; 29 μM; 29 μM; 52 μM

Specifications

Sinónimos

9-isopropyl-N-(3-(trifluoromethyl)benzyl)-9H-purin-6-amine | 9H-​Purin-​6-​amine,9-​(1-​methylethyl)​-​N-​[[3-​(trifluoromethyl)​phenyl]​methyl]​-

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Longdaysin is a Casein Kinase inhibitor with IC50 values of 8.8 μM, 5.6 μM, 52 μM and 29 μM for CKIδ, CKIα, ERK2 and CDK7.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Propriedades do produto

• ALogP: 3.571
• hba_count: 3
• Contagem HBD: 1
• Ligação rotativa: 5

Nomes e identificadores

• Pubchem Sid: 504770939
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770939
• Sorrisos canónicos: CC(C)N1C=NC2=C(N=CN=C21)NCC3=CC(=CC=C3)C(F)(F)F
• IUPAC Name: 9-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
• InChIKey: REKSFCCYDQMSIN-UHFFFAOYSA-N
• INCHI: 1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-4-3-5-12(6-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)
• SMILES isoméricas: CC(C)N1C=NC2=C(N=CN=C21)NCC3=CC(=CC=C3)C(F)(F)F
• Peso molecular: 335.33
• Reaxy-Rn: 25796871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25796871&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: 6-aminopurines
• Direct Parent: 6-alkylaminopurines
• Alternative Parents: Trifluoromethylbenzenes Benzylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-alkylaminopurine - Trifluoromethylbenzene - Benzylamine - Aminopyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Azacycle - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

CSNK1A1 Tchem Casein kinase I alpha (2581 Activities)

Discover Target: CSNK1A1

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

MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

Discover Target: MAPK8

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

CCNH Tbio CDK7/Cyclin H/MNAT1 (693 Activities)

Discover Target: CCNH

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

Alvos associados (não humanos)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 67 mg/mL (199.8 mM); Ethanol: 67 mg/mL (199.8 mM); Water: Insoluble
• Sensibilidade: light sensitive
• DMSO (mg/mL) Solubilidade máxima: 67
• DMSO (mM) Solubilidade máxima: 199.803178958041
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 335.330 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 335.136 Da
• Monoisotopic Mass: 335.136 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 417.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1353867-91-0, the molecular formula is C16H16F3N5, and the molecular weight is 335.33 g/mol. InChIKey REKSFCCYDQMSIN-UHFFFAOYSA-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.