PF-04995274 - Moligand™, ≥98% , Agonist of 5-HT 4 receptor, CAS No.1331782-27-4, Agonist of 5-HT 4 receptor

CAS: 1331782-27-4 Cat. No.: P412422 분자식: C₂₃H₃₂N₂O₆ 분자량: 432.51 EC 번호: 170-681-8 PubChem CID: 53354764

GRADE & PURITY Moligand™, ≥98%

Synonyms

PF 04995274 | S0496 | AC-30621 | XI179PG9LV | (R)-4((4-((4-(Tetrahydrofuran-3-yloxy)benzo[d]isoxazol-3-yloxy)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-ol | DB12675 | GTPL9059 | (R)-4-((4-(((4-((Tetrahydrofuran-3-yl)oxy)benzo[d]isoxazol-3-yl)oxy)m

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

PF-04995274 (PF-4995274) is a potent, high-affinity, orally active and partial agonist ofserotonin 4 receptor (5-HT4R)with EC50 of 0.47 nM, 0.36 nM, 0.37 nM and 0.26 nM for human 5-HT4A/4B/4D/4E, respectively. As for rat 5-HT4S/4L/4E, the EC50 is 0.59 nM, 0.65 nM and 0.62 nM, respectively. PF-04995274 is brain penetrant and can be used for cognitive disorders associated with Alzheimer's disease.

Targets

human 5-HT4E (Cell-free assay); human 5-HT4B (Cell-free assay); human 5-HT4D (Cell-free assay); human 5-HT4A (Cell-free assay); rat 5-HT4S (Cell-free assay) 32770,0.26 nM(EC50); 0.36 nM(EC50); 0.37 nM(EC50); 0.47 nM(EC50); 0.59 nM(EC50)

Specifications

동의어

PF 04995274 | S0496 | AC-30621 | XI179PG9LV | (R)-4((4-((4-(Tetrahydrofuran-3-yloxy)benzo[d]isoxazol-3-yloxy)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-ol | DB12675 | GTPL9059 | (R)-4-((4-(((4-((Tetrahydrofuran-3-yl)oxy)benzo[d]isoxazol-3-yl)oxy)m

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

PF-04995274 (PF-4995274) is a potent, high-affinity, orally active and partial agonist of serotonin 4 receptor (5-HT4R) with EC50 of 0.47 nM, 0.36 nM, 0.37 nM and 0.26 nM for human 5-HT4A/4B/4D/4E, respectively. As for rat 5-HT4S/4L/4E, the EC50 is 0.59 n

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of 5-HT 4 receptor

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504771163
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771163
• 정식 스마일: C1CN(CCC1COC2=NOC3=C2C(=CC=C3)OC4CCOC4)CC5(CCOCC5)O
• IUPAC Name: 4-[[4-[[4-[(3R)-oxolan-3-yl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
• InChIKey: WLLOFQROROXOMO-GOSISDBHSA-N
• INCHI: 1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
• 이성체 SMILES: C1COC[C@@H]1OC2=CC=CC3=C2C(=NO3)OCC4CCN(CC4)CC5(CCOCC5)O
• PubChem CID: 53354764
• 분자량: 432.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzisoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzisoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzisoxazoles
• Alternative Parents: Phenol ethers Alkyl aryl ethers Piperidines Oxanes Tertiary alcohols Oxolanes Isoxazoles Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzisoxazole - Phenol ether - Alkyl aryl ether - Oxane - Piperidine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Oxolane - Azole - Isoxazole - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
• 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

관련 대상(인간)

HTR4 Tclin 5-hydroxytryptamine receptor 4 (12 Activities)

Discover Target: HTR4

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

HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

Discover Target: HTR4

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

Liver microsomes (16955 Activities)

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

관련 대상(비인간)

Canis familiaris (36305 Activities)

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

Rattus norvegicus (775804 Activities)

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

MDCK (10148 Activities)

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

Brain (1 Activities)

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

Plasma (328 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 86 mg/mL (198.83 mM); Ethanol: 20 mg/mL (46.24 mM); Water: Insoluble
• 분자량: 432.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 432.226 Da
• Monoisotopic Mass: 432.226 Da
• Topological Polar Surface Area: 86.400 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 566.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

자주 묻는 질문

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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 1331782-27-4, the molecular formula is C23H32N2O6, and the molecular weight is 432.51 g/mol. InChIKey WLLOFQROROXOMO-GOSISDBHSA-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.