BUN35761 | CAS#1937235-76-1 | IRE1α inhibitor

MedKoo Cat#: 565572 | Name: BUN35761

Description:

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

BUN35761, also known as 31B, is an allosteric inhibition of IRE1α enzyme with ATP-competitive ligands. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

BUN35761

CAS#1937235-76-1

Theoretical Analysis

MedKoo Cat#: 565572

Name: BUN35761

CAS#: 1937235-76-1

Chemical Formula: C27H23FN6O

Exact Mass: 466.1917

Molecular Weight: 466.52

Elemental Analysis: C, 69.51; H, 4.97; F, 4.07; N, 18.01; O, 3.43

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

31B; 31 B; 31-B; BUN35761; BUN-35761; BUN 35761;

IUPAC/Chemical Name

1-(4-(8-Amino-3-(1-methylcyclopropyl)imidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl)-3-(3-fluorophenyl)urea

InChi Key

BMEJPYIGRYVVEF-UHFFFAOYSA-N

InChi Code

InChI=1S/C27H23FN6O/c1-27(11-12-27)25-33-22(23-24(29)30-13-14-34(23)25)20-9-10-21(19-8-3-2-7-18(19)20)32-26(35)31-17-6-4-5-16(28)15-17/h2-10,13-15H,11-12H2,1H3,(H2,29,30)(H2,31,32,35)

SMILES Code

O=C(NC1=CC=CC(F)=C1)NC2=C3C=CC=CC3=C(C4=C5C(N)=NC=CN5C(C6(C)CC6)=N4)C=C2

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

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	Soluble in DMSO	0.0	0.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 466.52 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.

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

Feldman HC, Tong M, Wang L, Meza-Acevedo R, Gobillot TA, Lebedev I, Gliedt MJ, Hari SB, Mitra AK, Backes BJ, Papa FR, Seeliger MA, Maly DJ. Structural and Functional Analysis of the Allosteric Inhibition of IRE1α with ATP-Competitive Ligands. ACS Chem Biol. 2016 Aug 19;11(8):2195-205. doi: 10.1021/acschembio.5b00940. Epub 2016 Jun 9. PMID: 27227314; PMCID: PMC4992410.