NR1 Rheb inhibitor
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 563945

CAS#: 2216763-38-9

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

Chemical Structure

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NR1 Rheb inhibitor
CAS# 2216763-38-9
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 563945
Name: NR1 Rheb inhibitor
CAS#: 2216763-38-9
Chemical Formula: C25H19BrCl2N2O3S
Exact Mass: 575.97
Molecular Weight: 578.302
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 2 Weeks
10mg USD 560 2 Weeks
25mg USD 1015 2 Weeks
50mg USD 1750 2 Weeks
100mg USD 2675 2 Weeks
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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/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 50.0 86.46

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.

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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.