Imanixil - Moligand™,≥99% , CAS No.75689-93-9

CAS: 75689-93-9 Cat. No.: I651771 Molecular Weight: 394.35 PubChem CID: 216289

GRADE & PURITY Moligand™, ≥99%

Synonyms

Imanixil [INN] | 2-(2-Hydroxy-4,4-dimethyl-4,5-dihydro-1H-imidazol-1-yl)-6-imino-N-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboximidic acid | Imanixilum | HY-101529 | BDBM50511409 | 4-AMINO-2-(4,4-DIMETHYL-2-OXO-1-IMIDAZOLIDINYL)-A,A,A-TRIFLU

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Imanixil (HOE-402 free base) is an inducer of the LDL receptor (LDLR). Imanixil (HOE-402 free base) is also a potent cholesterol-lowering compound, which inhibits very low density-lipoprotein (VLDL) production, and consequently attenuates atherosclerosis development.

Form:Solid

Specifications

Synonyms

Imanixil [INN] | 2-(2-Hydroxy-4, 4-dimethyl-4, 5-dihydro-1H-imidazol-1-yl)-6-imino-N-[3-(trifluoromethyl)phenyl]-1, 6-dihydropyrimidine-5-carboximidic acid | Imanixilum | HY-101529 | BDBM50511409 | 4-AMINO-2-(4, 4-DIMETHYL-2-OXO-1-IMIDAZOLIDINYL)-A, A, A-TRIFLU

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Imanixil (HOE-402 free base) is an inducer of the LDL receptor (LDLR). Imanixil (HOE-402 free base) is also a potent cholesterol-lowering compound, which inhibits very low density-lipoprotein (VLDL) production, and consequently attenuates atherosclerosis

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1(CN(C(=O)N1)C2=NC=C(C(=N2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C
• IUPAC Name: 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
• InChIKey: FUSNOPLQVRUIIM-UHFFFAOYSA-N
• INCHI: 1S/C17H17F3N6O2/c1-16(2)8-26(15(28)25-16)14-22-7-11(12(21)24-14)13(27)23-10-5-3-4-9(6-10)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,27)(H,25,28)(H2,21,22,24)
• Isomeric SMILES: CC1(CN(C(=O)N1)C2=NC=C(C(=N2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C
• Alternate CAS: 75689-93-9
• PubChem CID: 216289
• Molecular Weight: 394.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Trifluoromethylbenzenes Pyrimidinecarboxamides Aminopyrimidines and derivatives Imidolactams Imidazolidinones Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organopnictogen compounds Primary amines Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Trifluoromethylbenzene - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - Aminopyrimidine - Imidazolidinone - Imidolactam - Pyrimidine - Imidazolidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carbonic acid derivative - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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

Associated Targets(Human)

PIP4K2B Tchem Phosphatidylinositol-5-phosphate 4-kinase type-2 beta (392 Activities)

Discover Target: PIP4K2B

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 62.5 mg/mL (158.49 mM; Need ultrasonic)
• Molecular Weight: 394.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 394.137 Da
• Monoisotopic Mass: 394.137 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 614.000
• 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