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 Formule: C₂₃H₂₄FN₅O₂ Poids moléculaire: 421.48

QUALITÉ & PURETÉ 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

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Le FIPI est un inhibiteur de PC-PLD1/2 (PLD1/2) perméable aux cellules (CI|50|= 1 nM et 10 nM pour PLD1 et PLD2, respectivement, dans un essai sur cellules CHO, et CI|50|= 20 nM pour PLD2 dans un essai biochimique), qui ne présente aucune activité sur MitoPLD, et qui est sélectif pour PLD1 et PLD2 par rapport aux autres enzymes de la superfamille PLD. Le FIPI bloque également les effets de la PLD2 sur la réorganisation du cytosquelette et le trafic cellulaire dans les cellules CHO, et diminue le chimiotactisme des neutrophiles dirigé par la fMLP dans les cellules HL60 à 750 nM.

Spécifications

Synonymes

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-

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of PLD1;Inhibitor of PLD2

Pureté

≥98%

Propriétés du produit

pKa

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

Noms et identifiants

Pubchem Sid

504768507

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 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).
• Indice de réfraction: n20D~1.66 (Predicted)
• Point de fusion (°C): 295.54° C (Predicted)
• Poids moléculaire: 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

Foire aux questions

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.