Amtolmetin guacil - ≥98% , CAS No.87344-06-7

CAS: 87344-06-7 Cat. No.: A187417 Molecular Weight: 420.5 EC Number: 681-921-0

GRADE & PURITY ≥98%

Synonyms

Artromed (TN) | BCP28767 | CHEBI:135678 | HY-107320 | Glycine, N-((5-benzoyl-1-methyl-1H-pyrrol-2-yl)acetyl)-, 2-methoxyphenyl ester | MFCD00866153 | ST 679 | Amtolmetinum guacilum [INN-Latin] | ST-679 | UNII-323A00CRO9 | AS-30751 | 2-Methoxyphenyl 2-(2-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Application:

Analgesic;  Anti-inflammatory ；Used in the treatment of rheumatoid arthritis

Specifications

Synonyms

Artromed (TN) | BCP28767 | CHEBI:135678 | HY-107320 | Glycine, N-((5-benzoyl-1-methyl-1H-pyrrol-2-yl)acetyl)-, 2-methoxyphenyl ester | MFCD00866153 | ST 679 | Amtolmetinum guacilum [INN-Latin] | ST-679 | UNII-323A00CRO9 | AS-30751 | 2-Methoxyphenyl 2-(2-(

Specifications & Purity

≥98%

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753995
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753995
• Canonical Smiles: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCC(=O)OC3=CC=CC=C3OC
• IUPAC Name: (2-methoxyphenyl) 2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetate
• InChIKey: CWJNMKKMGIAGDK-UHFFFAOYSA-N
• INCHI: 1S/C24H24N2O5/c1-16-8-10-17(11-9-16)24(29)19-13-12-18(26(19)2)14-22(27)25-15-23(28)31-21-7-5-4-6-20(21)30-3/h4-13H,14-15H2,1-3H3,(H,25,27)
• Isomeric SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCC(=O)OC3=CC=CC=C3OC
• Molecular Weight: 420.5
• Reaxy-Rn: 9012474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9012474&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Alpha amino acid esters Aryl-phenylketones Phenol esters Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Toluenes Alkyl aryl ethers N-methylpyrroles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Aryl-phenylketone - Phenol ester - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Azacycle - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

RAW264.7 (28094 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Melt Point(°C): 102 - 131°C
• Molecular Weight: 420.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 420.169 Da
• Monoisotopic Mass: 420.169 Da
• Topological Polar Surface Area: 86.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 631.000
• 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

References

1. Zhi-feng Cai, Hao-yang Li, Xian-song Wang, Can Min, Jia-qi Wen, Rui-xin Fu, Zi-yue Dai, Jing Chen, Ming-zhu Guo, Hui-juan Yang, Ping-ping Bai, Xiao-mi Lu, Tao Wu, Ying Wu.  (2022)  Highly luminescent copper nanoclusters as temperature sensors and “turn off” detection of oxytetracycline.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.129202]