VGX-1027 (Git-27) - Moligand™, ≥98% , CAS No.6501-72-0

CAS: 6501-72-0 Cat. No.: V275496 Molecular Weight: 205.21 EC Number: 636-241-9 PubChem CID: 10798271

GRADE & PURITY Moligand™, ≥98%

Synonyms

rac-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]acetic acid | 4,5-Dihydro-3-phenyl-5-isoxazoleaceticacid | VGX-1027;GIT 27 | GLS1027 | GLS-1027 | 2-Isoxazoline-5-acetic acid, 3-phenyl- | 4,5-DIHYDRO-3-PHENYL-5-ISOXAZOLEACETIC ACID | AKT814N13R | AS-65356 |

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

rac-[(5R)-3-phenyl-4, 5-dihydro-1, 2-oxazol-5-yl]acetic acid | 4, 5-Dihydro-3-phenyl-5-isoxazoleaceticacid | VGX-1027;GIT 27 | GLS1027 | GLS-1027 | 2-Isoxazoline-5-acetic acid, 3-phenyl- | 4, 5-DIHYDRO-3-PHENYL-5-ISOXAZOLEACETIC ACID | AKT814N13R | AS-65356 |

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Immunomodulatory agent. TLR4 inhibitor. TLR4 and TLR 2/6 signaling pathway modulator. Inhibits inflammatory antigen presentation. Inhibits IL1-β, IL-10, IFN-γ and TNF-α secretion. Shows anti-inflammatory effects in vivo. Orally active.

Source

Synthetic

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Product Properties

• ALogP: 1.3

Names and Identifiers

• Pubchem Sid: 504765623
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765623
• Canonical Smiles: C1C(ON=C1C2=CC=CC=C2)CC(=O)O
• IUPAC Name: 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
• InChIKey: MUFJHYRCIHHATF-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
• Isomeric SMILES: C1C(ON=C1C2=CC=CC=C2)CC(=O)O
• PubChem CID: 10798271
• Molecular Weight: 205.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Isoxazolines Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Isoxazoline - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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)

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

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

HEK293 (82097 Activities)

Explore this target

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

FEN1 Tchem Flap endonuclease 1 (12055 Activities)

Discover Target: FEN1

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

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol to 100 mM and in DMSO to 100 mM
• Sensitivity: Air Sensitive,Heat Sensitive
• Melt Point(°C): 157.0 to 161.0 °C
• Molecular Weight: 205.210 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 205.074 Da
• Monoisotopic Mass: 205.074 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 269.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1