BUN79398
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MedKoo CAT#: 556049

CAS#: 2377379-39-8

Description: BUN79398, also known as MRGPRX1 agonist 1, is a potent MRGPRX1 agonist (Mas-related G-protein-coupled receptor X1) (EC50 of 50 nM). BUN79398 is not only devoid of positively charged amidinium group but also with superior selectivity over opioid receptors. BUN79398 was first reported in J Med Chem. 2019 Sep 26;62(18):8631-8641 (compound 16). This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

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BUN79398
CAS# 2377379-39-8
Instruction

Theoretical Analysis

MedKoo Cat#: 556049
Name: BUN79398
CAS#: 2377379-39-8
Chemical Formula: C23H21N3O4S
Exact Mass: 435.13
Molecular Weight: 435.498
Elemental Analysis: C, 63.43; H, 4.86; N, 9.65; O, 14.69; S, 7.36

Price and Availability

Size Price Availability Quantity
200mg USD 1950 2 Weeks
500mg USD 3950 2 Weeks
1g USD 4950 2 Weeks
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Synonym: MRGPRX1 agonist 1; BUN79398; BUN-79398; BUN 79398;

IUPAC/Chemical Name: N-(2-(1-aminoisoquinolin-6-yloxy)-4-methylphenyl)-2-methoxybenzenesulfonamide

InChi Key: BWEJNHRMGZUMNU-UHFFFAOYSA-N

InChi Code: InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)

SMILES Code: O=S(C1=CC=CC=C1OC)(NC2=CC=C(C)C=C2OC3=CC4=C(C(N)=NC=C4)C=C3)=O

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 435.50 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:
In vitro protocol:
In vivo protocol:

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Prchalová E, Hin N, Thomas AG, Veeravalli V, Ng J, Alt J, Rais R, Rojas C, Li Z, Hihara H, Aoki M, Yoshizawa K, Nishioka T, Suzuki S, Kopajtic T, Chatrath S, Liu Q, Dong X, Slusher BS, Tsukamoto T. Discovery of Benzamidine- and 1-Aminoisoquinoline-Based Human MAS-Related G-Protein-Coupled Receptor X1 (MRGPRX1) Agonists. J Med Chem. 2019 Sep 26;62(18):8631-8641. doi: 10.1021/acs.jmedchem.9b01003. Epub 2019 Sep 9. PMID: 31498617.