MMPI-1154 - ≥99% , CAS No.1382722-47-5

CAS: 1382722-47-5 Cat. No.: M649292 Molecular Weight: 445.49 PubChem CID: 68027884

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MMPI-1154 is a promising novel cardio-cytoprotective imidazole-carboxylic acid (ICA) MMP-2 inhibitor( IC 50 =6.6 μM) and can be used for the study of acute myocardial infarction. MMPI-1154 also inhibits the activity of MMP-13 , MMP-1 and MMP-9 with IC 50 s of 1.8 μM,10 μM, and 13 μM, respectively

In Vitro

MMPI-1154 (1-100 μM) inhibits MMP-2 enzyme isolated from rat heart in vitro, and 100% inhibition appears at the concentraction 100 μM. MMPI-1154 (1 μM) shows significant cardio-cytoprotecion, significantly decreases infarct size in an ex vivo model for acute myocardial infarction. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:MMP-2 6.6 μM (IC 50 ) MMP-13 1.8 μM (IC 50 ) MMP-1 10 μM (IC 50 ) MMP-9 13 μM (IC 50 )

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

MMPI-1154 is a promising novel cardio-cytoprotective imidazole-carboxylic acid (ICA) MMP-2 inhibitor( IC 50 =6.6 μM) and can be used for the study of acute myocardial infarction. MMPI-1154 also inhibits the activity of MMP-13 , MMP-1 and MMP-9 with IC 50

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.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COC2=CC=C(C=C2)CN(CC3=CC=C(C=C3)F)CC4=NC=C(N4)C(=O)O
• IUPAC Name: 2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1H-imidazole-5-carboxylic acid
• InChIKey: QLTNFRCPUOPISS-UHFFFAOYSA-N
• INCHI: 1S/C26H24FN3O3/c27-22-10-6-19(7-11-22)15-30(17-25-28-14-24(29-25)26(31)32)16-20-8-12-23(13-9-20)33-18-21-4-2-1-3-5-21/h1-14H,15-18H2,(H,28,29)(H,31,32)
• Isomeric SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CN(CC3=CC=C(C=C3)F)CC4=NC=C(N4)C(=O)O
• PubChem CID: 68027884
• Molecular Weight: 445.49

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Phenoxy compounds Phenol ethers Benzylamines Fluorobenzenes Carbonylimidazoles Aralkylamines Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenylmethylamine - Phenol ether - Benzylamine - Aralkylamine - Halobenzene - Fluorobenzene - Imidazole-4-carbonyl group - Alkyl aryl ether - Aryl halide - Aryl fluoride - Heteroaromatic compound - Imidazole - Azole - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 83.33 mg/mL (187.05 mM; Need ultrasonic)