SQ 22,536 - 10mM in DMSO , CAS No.17318-31-9

CAS: 17318-31-9 Cat. No.: S580516 Fórmula: C₉H₁₁N₅O Peso molecular: 205.22 Número EC: 633-987-7 PubChem CID: 5270

CALIDAD & PUREZA 10mM in DMSO

Synonyms

KBio2_005618 | MFCD00210216 | NSC53339 | NSC-53339 | P10102 | CHEBI:90232 | KBioGR_000482 | SR-01000075521-1 | CCG-205266 | SQ 22536 | FT-0688572 | HMS2235P22 | HMS3676B05 | BRD-A56987319-001-05-3 | HMS3266A19 | S-153 | BSPBio_001142 | IDI1_002166 | SCHEM

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificaciones

Sinónimos

KBio2_005618 | MFCD00210216 | NSC53339 | NSC-53339 | P10102 | CHEBI:90232 | KBioGR_000482 | SR-01000075521-1 | CCG-205266 | SQ 22536 | FT-0688572 | HMS2235P22 | HMS3676B05 | BRD-A56987319-001-05-3 | HMS3266A19 | S-153 | BSPBio_001142 | IDI1_002166 | SCHEM

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Inhibitor of adenylyl cyclase (IC50= 1.4μM). Inhibits PGE1-stimulated increases in cAMP levels in intact human platelets. Cell permeable.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Nombres e identificadores

Sonrisas canónicas

C1CC(OC1)N2C=NC3=C(N=CN=C32)N

IUPAC Name

9-(oxolan-2-yl)purin-6-amine

InChIKey

UKHMZCMKHPHFOT-UHFFFAOYSA-N

INCHI

1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)

Isómeros SMILES

C1CC(OC1)N2C=NC3=C(N=CN=C32)N

WGK Alemania

3

PubChem CID

5270

Peso molecular

205.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. 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)

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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

ADCY3 Tbio Adenylate cyclase type III (24 Activities)

Discover Target: ADCY3

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

ADCY1 Tchem Brain adenylate cyclase 1 (372 Activities)

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HEK293 (82097 Activities)

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

BLM Tchem Bloom syndrome protein (4248 Activities)

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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

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

PI4K2A Tbio Phosphatidylinositol 4-kinase, PI4K (160 Activities)

Discover Target: PI4K2A

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

TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

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

KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)

Discover Target: KPNB1

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Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

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Adcy2 Adenylate cyclase type II (26 Activities)

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

Hdac6 Histone deacetylase 6 (222 Activities)

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J774.A1 (2436 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Adora2b Adenosine A2 receptor (1828 Activities)

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

Adora2b Adenosine receptors; A1 & A2 (886 Activities)

Discover Target: Adora2b

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 10.26, Max Conc. mM: 50
• Sensibilidad: Heat sensitive
• Punto de fusión (°C): 165 °C
• Peso molecular: 205.220 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 205.096 Da
• Monoisotopic Mass: 205.096 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 17318-31-9, the molecular formula is C9H11N5O, and the molecular weight is 205.22 g/mol. InChIKey UKHMZCMKHPHFOT-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.