5-(4-Phenoxybutoxy)psoralen - Moligand™, ≥98% , Channel blocker of K v1.3, CAS No.870653-45-5, Channel blocker of K v1.3

CAS: 870653-45-5 Cat. No.: P120182 Peso molecular: 350.36 Número EC: 635-565-8

GRADE & PURITY Moligand™, ≥98%

Synonyms

PAP-1 | HY-10015 | AKOS015920200 | SPS-4251 | 5-(4-Phenoxybutoxy)psoralen;4-(4-Phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one | 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one | 4-[4-(phenoxy)butoxy]furo[3,2-g]chromen-7-one | AC-1703 | Cis-11-tetradecen -1-ol | Q

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

PAP-1 is selective inhibitor of Kv1.3, voltage-gated K+ channel. PAP-1 (EC50=2 nM) potently inhibits human T effector memory cell proliferation and delayed hypersensitivity. Effective orally or intraperitoneally. 5-(4-Phenoxybutoxy)psoralen has 23-fold selectivity for Kv1.3 over Kv1.5, and 33-125-fold selectivity over other Kv1 family channels. In treatment of multiple sclerosis

Specifications

Sinónimos

PAP-1 | HY-10015 | AKOS015920200 | SPS-4251 | 5-(4-Phenoxybutoxy)psoralen;4-(4-Phenoxybutoxy)-7H-furo[3, 2-g]chromen-7-one | 4-(4-phenoxybutoxy)furo[3, 2-g]chromen-7-one | 4-[4-(phenoxy)butoxy]furo[3, 2-g]chromen-7-one | AC-1703 | Cis-11-tetradecen -1-ol | Q

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Selective inhibitor of Kv1.3, voltage-gated K+ channel. PAP-1 (EC50=2 nM) potently inhibits human T effector memory cell proliferation and delayed hypersensitivity. Effective orally or intraperitoneally. 5-(4-Phenoxybutoxy)psoralen has 23-fold selectivity

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

CHANNEL BLOCKER

Mecanismo de acción

Channel blocker of K v1.3

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766270
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766270
• Sonrisas canónicas: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4
• IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
• InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N
• INCHI: 1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
• Isómeros SMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4
• WGK Alemania: 3
• CAS alternativo: 870653-45-5
• Peso molecular: 350.36
• Reaxy-Rn: 10371713
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10371713&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Furanocoumarins
        • Level5 Linear furanocoumarins
          • Level6 Psoralens

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Furanocoumarins
• Intermediate Tree Nodes: Linear furanocoumarins
• Direct Parent: Psoralens
• Alternative Parents: 1-benzopyrans Benzofurans Phenoxy compounds Phenol ethers Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
• 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)

KCNA6 Tclin Potassium voltage-gated channel subfamily A member 6 (1 Activities)

Discover Target: KCNA6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNA7 Tclin Potassium voltage-gated channel subfamily A member 7 (2 Activities)

Discover Target: KCNA7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNN4 Tchem Intermediate conductance calcium-activated potassium channel protein 4 (3 Activities)

Discover Target: KCNN4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (2 Activities)

Discover Target: KCNN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (2 Activities)

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (2 Activities)

Discover Target: KCNN2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNA3 Tclin Potassium voltage-gated channel subfamily A member 3 (8 Activities)

Discover Target: KCNA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNA4 Tclin Potassium voltage-gated channel subfamily A member 4 (3 Activities)

Discover Target: KCNA4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNA2 Tclin Potassium voltage-gated channel subfamily A member 2 (3 Activities)

Discover Target: KCNA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNA5 Tclin Potassium voltage-gated channel subfamily A member 5 (4 Activities)

Discover Target: KCNA5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (2 Activities)

Discover Target: KCNMA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNA1 Tclin Potassium voltage-gated channel subfamily A member 1 (3 Activities)

Discover Target: KCNA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

KCNA5 Tclin Voltage-gated potassium channel subunit Kv1.5 (1353 Activities)

Discover Target: KCNA5

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

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (20 Activities)

Discover Target: KCNN2

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

KCNA2 Tclin Voltage-gated potassium channel subunit Kv1.2 (28 Activities)

Discover Target: KCNA2

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

KCNA3 Tclin Voltage-gated potassium channel subunit Kv1.3 (1067 Activities)

Discover Target: KCNA3

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

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

KCNN4 Tchem Intermediate conductance calcium-activated potassium channel protein 4 (87 Activities)

Discover Target: KCNN4

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

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (435 Activities)

Discover Target: KCNMA1

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

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (21 Activities)

Discover Target: KCNN1

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

KCNA7 Tclin Voltage-gated potassium channel subunit Kv1.7 (2 Activities)

Discover Target: KCNA7

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

KCNA1 Tclin Voltage-gated potassium channel subunit Kv1.1 (248 Activities)

Discover Target: KCNA1

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

U2OS (164939 Activities)

Explore this target

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

HaCaT (4069 Activities)

Explore this target

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

PBMC (10003 Activities)

Explore this target

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

KCNA6 Tclin Voltage-gated potassium channel subunit Kv1.6 (20 Activities)

Discover Target: KCNA6

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

KCNA4 Tclin Voltage-gated potassium channel subunit Kv1.4 (24 Activities)

Discover Target: KCNA4

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

RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

Discover Target: RUNX1

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

HEK-293T (167025 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Rhesus monkey (3147 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 50 mg/mL (142.71 mM); Water: < 0.1 mg/mL (insoluble)
• Sensibilidad: light sensitive
• Peso molecular: 350.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 350.115 Da
• Monoisotopic Mass: 350.115 Da
• Topological Polar Surface Area: 57.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 499.000
• 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