≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Rheb inhibitor NR1 is a Rheb inhibitor with an IC 50 of 2.1 µM in the Rheb-IVK assay. Rheb inhibitor NR1 can directly bind Rheb in the switch II domain and selectively inhibit the activation of mechanistic target of rapamycin complex 1 (mTORC1) . Rheb inhibitor NR1 inhibits the phosphorylation of mTORC1 driven T389 pS6K1 and increases the phosphorylation of S473 pAKT in a dose-dependent manner. Rheb inhibitor NR1 does not influence mTORC2 activity (Rheb-IVK: Rheb-dependent mTORC1 kinase activity)
In Vitro
NR1 (1-10 μM; 48 h) reduces the size of Jurkat cells. NR1 (0.37-30 μM; 90 min for MCF-7 and TRI102; 24 h for PC3) inhibits the phosphorylation of T389 pS6K1 and increases the phosphorylation of S473 pAKT in MCF-7, TRI102 and PC3 cells. NR1 (1-30 μM; 2.5 h) reduced protein synthesis in MCF-7. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: Jurkat cells Concentration: 1, 3 and 10 μM Incubation Time: 48 h Result: Effectively reduced the size of Jurkat cells in a dose-dependent manner. Western Blot AnalysisCell Line: MCF-7, TRI102 and PC3 cells Concentration: 0.37, 1.1, 3.3, 10 and 30 μM Incubation Time: 90 min for MCF-7 and TRI102; 24 h for PC3 Result: Inhibited the phosphorylation of T389 pS6K1 and increased the phosphorylation of S473 pAKT in a dose-dependent manner. Western Blot AnalysisCell Line: MCF-7 Concentration: 1, 3, 10 and 30 μM Incubation Time: 2.5 h (then labeled the cells with an 35 S-Met labeling mix for 30 min) Result: Dose-dependently reduced protein synthesis.
In Vivo
NR1 (30 mg/kg; IP; single dosage) significantly reduces mTORC1 activity in both kidney and skeletal muscle, and exhibited a clear band shift for T37/46 4E-BP1 in skeletal muscle . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male C57BL/6 mice (6-7 weeks; fast for 16 hours) Dosage: 30 mg/kg Administration: IP; single dosage Result: Sustained over 5 µM for 2 h. Significantly reduced mTORC1 activity in both kidney and skeletal muscle, and exhibited a clear band shift for T37/46 4E-BP1 in skeletal muscle.
Form:Solid
IC50& Target:Rheb, mTORC1
| Canonical Smiles | CN(C)C(=O)C1=CC=C(C=C1)CN2C(=CC3=C2C=C(C=C3Br)SC4=CC(=C(C=C4)Cl)Cl)C(=O)O |
|---|---|
| IUPAC Name | 4-bromo-6-(3,4-dichlorophenyl)sulfanyl-1-[[4-(dimethylcarbamoyl)phenyl]methyl]indole-2-carboxylic acid |
| InChIKey | MJYFVDNMTKLGTH-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | CN(C)C(=O)C1=CC=C(C=C1)CN2C(=CC3=C2C=C(C=C3Br)SC4=CC(=C(C=C4)Cl)Cl)C(=O)O |
| Alternate CAS | 2216763-38-9 |
| PubChem CID | 132281917 |
| Molecular Weight | 578.30 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | Diarylthioethers N-alkylindoles Indoles Benzamides Thiophenol ethers Pyrrole 2-carboxylic acids Dichlorobenzenes Benzoyl derivatives Substituted pyrroles Aryl chlorides Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid derivative - Diarylthioether - N-alkylindole - Indole - Benzoic acid or derivatives - Benzamide - Aryl thioether - Thiophenol ether - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid - 1,2-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| External Descriptors | Not available |
| Solubility | DMSO : 50 mg/mL (86.46 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 578.300 g/mol |
| XLogP3 | 6.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 575.968 Da |
| Monoisotopic Mass | 575.968 Da |
| Topological Polar Surface Area | 87.800 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 739.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
