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MedKoo Cat#: 563945 | Name: NR1 Rheb inhibitor
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Description:

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

NR1 is a inhibitor of Rheb, selectively targeting mTORC1 signaling.

Chemical Structure

NR1 Rheb inhibitor
NR1 Rheb inhibitor
CAS#2216763-38-9

Theoretical Analysis

MedKoo Cat#: 563945

Name: NR1 Rheb inhibitor

CAS#: 2216763-38-9

Chemical Formula: C25H19BrCl2N2O3S

Exact Mass: 575.9677

Molecular Weight: 578.30

Elemental Analysis: C, 51.92; H, 3.31; Br, 13.82; Cl, 12.26; N, 4.84; O, 8.30; S, 5.54

Price and Availability

Size Price Availability Quantity
5mg USD 340.00 2 Weeks
10mg USD 560.00 2 Weeks
25mg USD 1,015.00 2 Weeks
50mg USD 1,750.00 2 Weeks
100mg USD 2,675.00 2 Weeks
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Related CAS #
No Data
Synonym
NR1; NR-1; NR 1; NR1 Rheb inhibitor;
IUPAC/Chemical Name
4-Bromo-6-((3,4-dichlorophenyl)thio)-1-(4-(dimethylcarbamoyl)benzyl)-1H-indole-2-carboxylic acid
InChi Key
MJYFVDNMTKLGTH-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H19BrCl2N2O3S/c1-29(2)24(31)15-5-3-14(4-6-15)13-30-22-11-17(34-16-7-8-20(27)21(28)10-16)9-19(26)18(22)12-23(30)25(32)33/h3-12H,13H2,1-2H3,(H,32,33)
SMILES Code
O=C(C(N1CC2=CC=C(C(N(C)C)=O)C=C2)=CC3=C1C=C(SC4=CC=C(Cl)C(Cl)=C4)C=C3Br)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
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
Certificate of Analysis
View CoA: current batch, Lot#A20O07B29
Safety Data Sheet (SDS)
View Safety Data Sheet (SDS)
Instruction
View handling instruction
Biological target:
Rheb inhibitor NR1 is a Rheb inhibitor with an IC50 of 2.1 µM in the Rheb-IVK assay.
In vitro activity:
This study reports the discovery of a small molecule (NR1) that binds Rheb in the switch II domain and selectively blocks mTORC1 signaling. NR1 potently inhibits mTORC1 driven phosphorylation of ribosomal protein S6 kinase beta-1 (S6K1) but does not inhibit phosphorylation of AKT or ERK. In contrast to rapamycin, NR1 does not cause inhibition of mTORC2 upon prolonged treatment. Reference: Nat Commun. 2018 Feb 7;9(1):548. https://pubmed.ncbi.nlm.nih.gov/29416044/
In vivo activity:
This study carried out a pharmacodynamic (PD) study to evaluate the efficacy of NR1 at inhibiting mTORC1 signaling in vivo. Compared to the vehicle-treated group, the NR1-treated animals had significantly reduced mTORC1 activity in both kidney and skeletal muscle, clearly indicating downregulation of the pathway due to compound. In addition, there was a clear band shift for T37/464E-BP1 in skeletal muscle, further confirming the activity of NR1 on the mTORC1 pathway. Reference: Nat Commun. 2018 Feb 7;9(1):548. https://pubmed.ncbi.nlm.nih.gov/29416044/
Solvent mg/mL mM
Solubility
DMSO 50.0 86.46
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 578.30 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:
Mahoney SJ, Narayan S, Molz L, Berstler LA, Kang SA, Vlasuk GP, Saiah E. A small molecule inhibitor of Rheb selectively targets mTORC1 signaling. Nat Commun. 2018 Feb 7;9(1):548. doi: 10.1038/s41467-018-03035-z. PMID: 29416044; PMCID: PMC5803267.
In vitro protocol:
Mahoney SJ, Narayan S, Molz L, Berstler LA, Kang SA, Vlasuk GP, Saiah E. A small molecule inhibitor of Rheb selectively targets mTORC1 signaling. Nat Commun. 2018 Feb 7;9(1):548. doi: 10.1038/s41467-018-03035-z. PMID: 29416044; PMCID: PMC5803267.
In vivo protocol:
Mahoney SJ, Narayan S, Molz L, Berstler LA, Kang SA, Vlasuk GP, Saiah E. A small molecule inhibitor of Rheb selectively targets mTORC1 signaling. Nat Commun. 2018 Feb 7;9(1):548. doi: 10.1038/s41467-018-03035-z. PMID: 29416044; PMCID: PMC5803267.
1: Mahoney SJ, Narayan S, Molz L, Berstler LA, Kang SA, Vlasuk GP, Saiah E. A small molecule inhibitor of Rheb selectively targets mTORC1 signaling. Nat Commun. 2018 Feb 7;9(1):548. doi: 10.1038/s41467-018-03035-z. PubMed PMID: 29416044; PubMed Central PMCID: PMC5803267.