MedKoo Cat#: 555879 | Name: BRD3731

Description:

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

BRD3731 is a selective GSK3β inhibitor, with IC50s of 15 nM and 215 nM for GSK3β and GSK3α, respectively. It displays 14-fold selectivity for GSK3β. BRD3731 displays reduced potency towards the GSK3β (D133E), with an IC50 = 53 nM compared to GSK3β (wt) (cf. IC50 = 15 nM). Moreover, BRD3731 inhibits GSK3β with a Kd of 3.3 μM in cellular context. In addition, BRD3731 is a GSK3β- selective inhibitor from patent US20160375006A1, compound example 272.

Chemical Structure

BRD3731
BRD3731
CAS#2056262-08-7

Theoretical Analysis

MedKoo Cat#: 555879

Name: BRD3731

CAS#: 2056262-08-7

Chemical Formula: C24H31N3O

Exact Mass: 377.2467

Molecular Weight: 377.53

Elemental Analysis: C, 76.35; H, 8.28; N, 11.13; O, 4.24

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.
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Related CAS #
No Data
Synonym
BRD3731; BRD-3731; BRD 3731;
IUPAC/Chemical Name
(R)-4,7,7-trimethyl-3-neopentyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
InChi Key
YZRXTIGAQRIAEX-DEOSSOPVSA-N
InChi Code
InChI=1S/C24H31N3O/c1-22(2,3)12-17-20-21(27-26-17)25-16-13-23(4,5)14-18(28)19(16)24(20,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H2,25,26,27)/t24-/m0/s1
SMILES Code
O=C1C2=C(NC3=NNC(CC(C)(C)C)=C3[C@@]2(C)C4=CC=CC=C4)CC(C)(C)C1
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
Glycogen synthase kinase 3 (GSK3) is a key regulatory kinase in the WNT pathway. GSK3 remains a therapeutic target of interest in many diseases. GSK3 represents an example of such an evolutionary selection system, resulting in two paralog genes, GSK3A on chromosome 19 and GSK3B on chromosome 3. The encoded paralog proteins, GSK3α and GSK3β, have a high degree of similarity. GSK3α and GSK3β paralogs also have distinct, albeit uncharacterized, functions. However, both GSK3 paralogs have relations in the pathophysiology of a number of human disorders. They include non-insulin-dependent diabetes mellitus, cardiac hypertrophy, neurological and neurodevelopmental disorders, and cancer. While dual GSK3α/β inhibitors have entered clinical trials, none has successfully translated to clinical application https://www.cancer-research-network.com/cancer/brd3731-is-a-selective-gsk3%CE%B2-inhibitor/2020-10-21/

Preparing Stock Solutions

The following data is based on the product molecular weight 377.53 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
https://www.cancer-research-network.com/cancer/brd3731-is-a-selective-gsk3%CE%B2-inhibitor/2020-10-21/