ASN04885796 - Moligand™, ≥98% , Agonist of GPR17, CAS No.1032892-26-4, Agonist of GPR17

CAS: 1032892-26-4 Cat. No.: A607774 Molecular Weight: 517.55 PubChem CID: 3191600

GRADE & PURITY Moligand™, ≥98%

Synonyms

ASN 04885796;ASN-04885796

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ASN04885796 (compound IV) is an GPR17 activator . ASN04885796 has neuroprotective property and can be used for research of neurological diseases.

Specifications

Synonyms

ASN 04885796;ASN-04885796

Specifications & Purity

Moligand™, ≥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.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of GPR17

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528763152
• Canonical Smiles: COc1ccc(cc1)N(C(c1ccc(cc1)F)C(=O)NCC1CCCO1)C(=O)Cn1nnc2c1cccc2
• IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(4-methoxyphenyl)amino]-2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
• InChIKey: HIWKGPKZDUQDKF-UHFFFAOYSA-N
• INCHI: 1S/C28H28FN5O4/c1-37-22-14-12-21(13-15-22)34(26(35)18-33-25-7-3-2-6-24(25)31-32-33)27(19-8-10-20(29)11-9-19)28(36)30-17-23-5-4-16-38-23/h2-3,6-15,23,27H,4-5,16-18H2,1H3,(H,30,36)
• Isomeric SMILES: COC1=CC=C(C=C1)N(C(C2=CC=C(C=C2)F)C(=O)NCC3CCCO3)C(=O)CN4C5=CC=CC=C5N=N4
• PubChem CID: 3191600
• Molecular Weight: 517.55

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Phenylacetamides Anilides Benzotriazoles Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Oxolanes Tertiary carboxylic acid amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Phenylacetamide - Benzotriazole - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - 1,2,3-triazole - Oxolane - Triazole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Carbonyl group - Organofluoride - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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)

GPR17 Tchem Uracil nucleotide/cysteinyl leukotriene receptor (1 Activities)

Discover Target: GPR17

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Molecular Weight: 517.600 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 517.213 Da
• Monoisotopic Mass: 517.213 Da
• Topological Polar Surface Area: 98.600 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 789.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1