IM156 - ≥98% , CAS No.1422365-93-2

CAS: 1422365-93-2 Cat. No.: I414425 分子式: C₁₃H₁₆F₃N₅O 分子量: 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

概要

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

Specifications

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

• ALogP: 3.622
• HBD数: 2
• 回転可能な結合: 7

名前と識別子

• パブケム・シド: 488202258
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488202258
• カノニカル・スマイル: 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)
• 異性体SMILES: C1CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)OC(F)(F)F)N)/N
• PubChem CID: 71512108
• 分子量: 315.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: 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） 最大溶解度: 63
• DMSO（mM） 最大溶解度: 199.816042373688
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 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

よくある質問

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.