FIPI - Moligand™, ≥98% , Inhibitor of PLD1;Inhibitor of PLD2, CAS No.939055-18-2, Inhibitor of PLD1;Inhibitor of PLD2

CAS: 939055-18-2 Cat. No.: F340883 Fórmula: C₂₃H₂₄FN₅O₂ Peso molecular: 421.48

GRAU & PUREZA Moligand™, ≥98%

Synonyms

EX-A780 | (-)-Sparteine (sulfate) | HY-12807 | 5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-1H-indole-2-carboxamide | BW 467C60 | SCHEMBL10311363 | 5-luoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

FIPI is a cell-permeable, PC-PLD1/2 (PLD1/2) inhibitor (IC|50|= 1 nM and 10 nM for PLD1 and PLD2, respectively, in a CHO cell based assay, and IC|50|= 20 nM for PLD2 in a biochemical assay), that displays no activity toward MitoPLD, and is selective for PLD1 and PLD2 over other PLD superfamily enzymes. FIPI is also shown to block PLD2-dependent effects on cytoskeletal reorganization and cell trafficking in CHO cells, and diminish fMLP-directed neutrophil chemotaxis in HL60 cells at 750 nM.

Especificações

Sinónimos

EX-A780 | (-)-Sparteine (sulfate) | HY-12807 | 5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-1H-indole-2-carboxamide | BW 467C60 | SCHEMBL10311363 | 5-luoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

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.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of PLD1;Inhibitor of PLD2

Pureza

≥98%

Propriedades do produto

pKa

pKa: 12.04 (Predicted), pKa: 8.53 (Predicted)

Nomes e identificadores

Pubchem Sid

504768507

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768507

Sorrisos canónicos

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC5=C(N4)C=CC(=C5)F

IUPAC Name

5-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide

InChIKey

LHABRXRGDLASIH-UHFFFAOYSA-N

INCHI

1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)

SMILES isoméricas

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC5=C(N4)C=CC(=C5)F

Peso molecular

421.48

Reaxy-Rn

11029155

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11029155&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Benzimidazoles Indoles 2-heteroaryl carboxamides Pyrrole carboxamides Aryl fluorides Benzenoids Substituted pyrroles N-substituted imidazoles Piperidines Heteroaromatic compounds Ureas Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - Benzimidazole - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Aryl fluoride - Aryl halide - Benzenoid - N-substituted imidazole - Substituted pyrrole - Piperidine - Azole - Heteroaromatic compound - Imidazole - Pyrrole - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• 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)

PLD1 Tchem Phospholipase D1 (3 Activities)

Discover Target: PLD1

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

PLD2 Tchem Phospholipase D2 (4 Activities)

Discover Target: PLD2

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

PLD1 Tchem Phospholipase D1 (469 Activities)

Discover Target: PLD1

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

PLD2 Tchem Phospholipase D2 (437 Activities)

Discover Target: PLD2

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

HepG2 (196354 Activities)

Explore this target

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

Alvos associados (não 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

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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in 1:9 DMF:PBS(ph7.2) (~0.1 mg/ml), ethanol (~0.25 mg/ml), DMSO (~20 mg/ml), and DMF (~20 mg/ml).
• Índice de refração: n20D~1.66 (Predicted)
• Ponto de fusão (°C): 295.54° C (Predicted)
• Peso molecular: 421.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 421.191 Da
• Monoisotopic Mass: 421.191 Da
• Topological Polar Surface Area: 80.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 670.000
• 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.

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 939055-18-2, the molecular formula is C23H24FN5O2, and the molecular weight is 421.48 g/mol. InChIKey LHABRXRGDLASIH-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.