NCGC00379308
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MedKoo CAT#: 563811

CAS#: 662164-09-2

Description: NCGC00379308, also known as D3-ßArr, is a Positive Allosteric Modulator (PAM) of the TSH receptor. D3-ßArr potentiates the effect of TSH in stimulating β-Arr 1 translocation.

Chemical Structure

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NCGC00379308
CAS# 662164-09-2
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 563811
Name: NCGC00379308
CAS#: 662164-09-2
Chemical Formula: C20H23N5
Exact Mass: 333.20
Molecular Weight: 333.439
Elemental Analysis: C, 72.04; H, 6.95; N, 21.00

Price and Availability

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1g USD 3850
2g USD 7450
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Synonym: D3-ßArr; D3ßArr; D3 ßArr; NCGC00379308; NCGC-00379308; NCGC 00379308;

IUPAC/Chemical Name: N-(1-Phenylethyl)-2-(1-piperazinyl)-4-quinazolinamine

InChi Key: LOGWGZNWEWFTJV-UHFFFAOYSA-N

InChi Code: 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)

SMILES Code: CC(NC1=C2C=CC=CC2=NC(N3CCNCC3)=N1)C4=CC=CC=C4

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: NCGC00379308, also known as D3-ßArr, is a Positive Allosteric Modulator (PAM) of the TSH receptor.
In vitro activity: In DiscoverX1 cells, D3-βArr stimulated β-Arr 1 translocation with a 5.1-fold greater efficacy than TSH and therefore potentiated the effect of TSH in stimulating β-Arr 1 translocation. D3-βArr alone had only a weak effect to upregulate these bone markers, but D3-βArr potentiated TSH-induced upregulation of ALPL and OPN mRNA levels 1.6-fold and 5.5-fold, respectively, at the maximum dose of ligands. Furthermore, the positive allosteric modulator effect of D3-βArr resulted in an increase of TSH-induced secretion of OPN protein. Reference: J Pharmacol Exp Ther. 2018 Jan;364(1):38-45. https://pubmed.ncbi.nlm.nih.gov/29089368/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 81.0 242.92
Ethanol 33.0 98.97

Preparing Stock Solutions

The following data is based on the product molecular weight 333.44 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Neumann S, Eliseeva E, Boutin A, Barnaeva E, Ferrer M, Southall N, Kim D, Hu X, Morgan SJ, Marugan JJ, Gershengorn MC. 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. doi: 10.1124/jpet.117.244095. Epub 2017 Oct 31. PMID: 29089368; PMCID: PMC5729612.
In vitro protocol: Neumann S, Eliseeva E, Boutin A, Barnaeva E, Ferrer M, Southall N, Kim D, Hu X, Morgan SJ, Marugan JJ, Gershengorn MC. 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. doi: 10.1124/jpet.117.244095. Epub 2017 Oct 31. PMID: 29089368; PMCID: PMC5729612.
In vivo protocol: TBD

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