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D3-βArr

CAT: 0804-HY-124867-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-124867-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
D3-βArr is a positive allosteric modulator for thyrotropin receptor (TSHR), which initiates translocation of β-Arr 1 by direct TSHR activation and potentiates TSH-mediated preosteoblast differentiation in vitro[1].
CAS Number
662164-09-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
TSH Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/d3-beta-arr.html
Purity
99.49
Solubility
DMSO : ≥ 125 mg/mL
Smiles
CC(NC1=C2C=CC=CC2=NC(N3CCNCC3)=N1)C4=CC=CC=C4
Molecular Formula
C20H23N5
Molecular Weight
333.43
Precautions
H302, H315, H319, H335
References & Citations
[1]Neumann S, et al. Discovery of a Positive Allosteric Modulator of the Thyrotropin Receptor: Potentiation of Thyrotropin-Mediated Preosteoblast Differentiation In Vitro. J Pharmacol Exp Ther. 2018 Jan;364 (1) :38-45.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(1-phenylethyl)-2-(piperazin-1-yl)quinazolin-4-amine
CAS Number662164-09-2
PubChem CID2950121
IUPAC NameN-(1-phenylethyl)-2-piperazin-1-ylquinazolin-4-amine
Molecular FormulaC20H23N5
Molecular Weight333.4
XLogP3.6
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity405
SMILES
CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCNCC4
InChI
InChI=1S/C20H23N5/c1-15(16-7-3-2-4-8-16)22-19-17-9-5-6-10-18(17)23-20(24-19)25-13-11-21-12-14-25/h2-10,15,21H,11-14H2,1H3,(H,22,23,24)
InChIKey
LOGWGZNWEWFTJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-phenylethyl)-2-(piperazin-1-yl)quinazolin-4-amine
CAS: 662164-09-2
CID: 2950121
Formula: C20H23N5
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass333.19534575
Monoisotopic Mass333.19534575
Topological Polar Surface Area53.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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M20139-01D3-βArr
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