HC-070 - Moligand™, ≥98% , CAS No.1628291-95-1

CAS: 1628291-95-1 Cat. No.: H1492609 Molecular Weight: 475.32 PubChem CID: 85473309

GRADE & PURITY Moligand™, ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

HC-070 is an antagonist of TRPC4/TRPC5 , with IC 50 s of 9.3 nM and 46 nM for hTRPC5 and hTRPC4 in cells, respectively.

Target Activity： TRPC5 (human):9.3 nM, TRPC4 (human):46 nM

In vitro Activity ： HC-070 inhibits hTRPC5 currents activated via muscarinic type 1 (IC50 = 2.0 nM) and suppresses hTRPC4 currents via muscarinic type 2 (IC50 = 0.49 nM). In whole-cell manual patch clamp, HC-070 inhibits lanthanum-activated hTRPC5-, mTRPC5-, rTRPC5-mediated currents (IC50s of 0.52 nM, 0.55 nM, and 0.32 nM). In the amygdala slices, HC-070 (20 nM) decreases CCK-4-evoked neuronal activity. HC-070 weakly inhibits TRPC3 (IC50 = 1 μM) and blocks M2R-activated human TRPC1/TRPC4 channels (IC50 = 1.3 nM) and La3+- and M1R-activated human TRPC1/5 channels (IC50 = 1.4 nM and 4.4 nM). 

In vivo Activity： HC-070 (1 mg/kg) reduces the increased capacity for fear memory in mice subjected to chronic social stress on days 1-15. HC-070 (1 mg/kg, p.o.) affects mice with increased CCK-4-evoked anxiety. HC-070 (0.3-3 mg/kg, p.o.) causes a reduction of anxiety in a standard EPM. HC-070 (0.3-10 mg/kg, p.o.) reduces the time of immobility in a tail suspension test without impacting locomotor activity in mice. HC-070 (1-10 mg/kg, p.o.) reduces marble-burying behavior.

Specifications

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

HC-070 is an antagonist of TRPC4/TRPC5 , with IC 50 s of 9.3 nM and 46 nM for hTRPC5 and hTRPC4 in cells, respectively.

Storage

Protected from light, 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™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)Cl
• IUPAC Name: 8-(3-chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione
• InChIKey: VYJPVPHNGWEIBT-UHFFFAOYSA-N
• INCHI: 1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3
• Isomeric SMILES: CN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)Cl
• PubChem CID: 85473309
• MeSH Entry Terms: HC-070
• Molecular Weight: 475.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: Diarylethers 6-oxopurines Alkaloids and derivatives Phenoxy compounds Phenol ethers Pyrimidones Chlorobenzenes N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthine - Diaryl ether - Purinone - 6-oxopurine - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Pyrimidone - Halobenzene - Chlorobenzene - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - Urea - Lactam - Azacycle - Ether - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• 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: 50 mg/mL (105.19 mM), Sonication is recommended.
• Sensitivity: Light sensitive；Heat sensitive
• Molecular Weight: 475.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 474.086 Da
• Monoisotopic Mass: 474.086 Da
• Topological Polar Surface Area: 87.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 678.000
• 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