MedKoo Cat#: 556049 | Name: BUN79398
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

BUN79398
BUN79398
CAS#2377379-39-8

Theoretical Analysis

MedKoo Cat#: 556049

Name: BUN79398

CAS#: 2377379-39-8

Chemical Formula: C23H21N3O4S

Exact Mass: 435.1253

Molecular Weight: 435.50

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 1,950.00 2 Weeks
500mg USD 3,950.00 2 Weeks
1g USD 4,950.00 2 Weeks
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Related CAS #
No Data
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

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
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.