Bindarit - Moligand™, ≥98% , Inhibitor of fatty acid binding protein 4, CAS No.130641-38-2, Inhibitor of fatty acid binding protein 4

CAS: 130641-38-2 Cat. No.: B129927 Molecular Weight: 324.37

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-[1(1-benzyl-1H-indazol-3-yl)methoxy]-2-methylpropanoic acid | AS-72769 | D03116 | SB16551 | 4-Hydroxymethylbutazolidine hemisuccinate | AB01566103_02 | Q27281631 | AF2838 | AF-2838 | HY-B0498 | BCP22728 | SW219174-1 | AF 2838 | Bindarit (USAN/INN) | HMS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Bindarit exhibits selective inhibition against monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7 and MCP-2/CCL8.

Specifications

Synonyms

2-[1(1-benzyl-1H-indazol-3-yl)methoxy]-2-methylpropanoic acid | AS-72769 | D03116 | SB16551 | 4-Hydroxymethylbutazolidine hemisuccinate | AB01566103_02 | Q27281631 | AF2838 | AF-2838 | HY-B0498 | BCP22728 | SW219174-1 | AF 2838 | Bindarit (USAN/INN) | HMS

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Bindarit(AF-2838), a CCL2, CCL7 and CCL8 inhibitor, is an anti-inflammatory agent.CCL2, CCL7 and CCL8 inhibitor. Anti-inflammatory agent. Shows antiproliferative, antimetastatic and antitumor effects in vivo. Prevents neuroinflammation in vivo . Orally ac

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

INHIBITOR

Mechanism of action

Inhibitor of fatty acid binding protein 4

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%

Names and Identifiers

• Pubchem Sid: 504754618
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754618
• Canonical Smiles: CC(C)(C(=O)O)OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
• IUPAC Name: 2-[(1-benzylindazol-3-yl)methoxy]-2-methylpropanoic acid
• InChIKey: MTHORRSSURHQPZ-UHFFFAOYSA-N
• INCHI: 1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)
• Isomeric SMILES: CC(C)(C(=O)O)OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
• Molecular Weight: 324.37
• Reaxy-Rn: 14755397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14755397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a 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)

FABP4 Tchem Fatty acid-binding protein, adipocyte (0 Activities)

Discover Target: FABP4

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

SLC16A3 Tchem Monocarboxylate transporter 4 (196 Activities)

Discover Target: SLC16A3

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

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: DMSO 65 mg/mL Water <1 mg/mL Ethanol 65 mg/mL
• Molecular Weight: 324.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 324.147 Da
• Monoisotopic Mass: 324.147 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 434.000
• 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. Chan-juan Chai, Yao Sun, Rui-fang Chi, Hui-yu Yang, Bin Yang, Bao Li.  (2023)  Astragaloside IV alleviates LPS-induced cardiomyocyte hypertrophy and collagen expression associated with CCL2-mediated activation of NF-κB signaling pathway.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:38091841] [10.1016/j.bbrc.2023.149367]