IM156 - ≥98% , CAS No.1422365-93-2

CAS: 1422365-93-2 Cat. No.: I414425 Summenformel: C₁₃H₁₆F₃N₅O Molekulargewicht: 315.29 PubChem CID: 71512108

GRADE & PURITY ≥98%

Synonyms

EX-A4660 | s9604 | HL271 | Lixumistat | SCHEMBL15830992 | A936270 | AKOS040759445 | N-(Imino((4-(trifluoromethoxy)phenyl)amino)methyl)-1-pyrrolidinecarboximidamide | HL156A free base | HL-156A free base | IM156 | HY-136093B | N'-[N'-[4-(trifluoromethoxy)p

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

IM156 is an orally bioavailable mitochondrial oxidative phosphorylation (OxPhos) inhibitor, with potential antineoplastic activity.

Specifications

Synonyme

EX-A4660 | s9604 | HL271 | Lixumistat | SCHEMBL15830992 | A936270 | AKOS040759445 | N-(Imino((4-(trifluoromethoxy)phenyl)amino)methyl)-1-pyrrolidinecarboximidamide | HL156A free base | HL-156A free base | IM156 | HY-136093B | N'-[N'-[4-(trifluoromethoxy)p

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

IM156 (HL156A), a metformin derivative, is a potent activator of AMPK that increases AMPK phosphorylation. IM156 blocks oxidative phosphorylation (OXPHOS) through the inhibition of complex I and increases apoptosis. IM156 ameliorates various types of fibr

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.622
• HBD-Zahl: 2
• Rotationsfähige Bindung: 7

Namen und Kennungen

• Pubchem Sid: 488202258
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202258
• Kanonisches Lächeln: C1CCN(C1)C(=NC(=NC2=CC=C(C=C2)OC(F)(F)F)N)N
• IUPAC Name: N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
• InChIKey: NGFUHJWVBKTNOE-UHFFFAOYSA-N
• INCHI: 1S/C13H16F3N5O/c14-13(15,16)22-10-5-3-9(4-6-10)19-11(17)20-12(18)21-7-1-2-8-21/h3-6H,1-2,7-8H2,(H4,17,18,19,20)
• Isomere SMILES: C1CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)OC(F)(F)F)N)/N
• PubChem CID: 71512108
• Molekulargewicht: 315.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Biguanides Pyrrolidines Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organooxygen compounds Organofluorides Imines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Biguanide - Monocyclic benzene moiety - Pyrrolidine - Trihalomethane - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Halomethane - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 63 mg/mL (199.81 mM); Ethanol: 20 mg/mL warmed with 50ºC Water: bath (63.43 mM); Water: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 63
• DMSO (mM) Maximale Löslichkeit: 199.816042373688
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 315.290 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 315.131 Da
• Monoisotopic Mass: 315.131 Da
• Topological Polar Surface Area: 89.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 424.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

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.

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 1422365-93-2, the molecular formula is C13H16F3N5O, and the molecular weight is 315.29 g/mol. InChIKey NGFUHJWVBKTNOE-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.