HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid
BCH · LAT1-IN-1 · B-Bch · LAT1-IN-1 (BCH) · 2-AMINO-2-NORBORNANECARBOXYLIC ACID · 2-Aminonorbornane-2-carboxylic acid · 2-Amino-2-carboxy-bicyclo-2,2,1-heptane · 2-AMINOBICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
Identifiers & Physical Properties
| CAS No. | 20448-79-7 |
|---|---|
| Molecular formula | C8H13NO2 |
| Average molar mass | 155.19 g/mol |
| Monoisotopic mass | 155.09462866 g/mol |
| SMILES | NC1(C(=O)O)CC2CCC1C2 |
| InChIKey | MPUVBVXDFRDIPT-UHFFFAOYSA-N |
| PubChem CID | 115288 |
| ChEMBL | CHEMBL2074957 |
| ChEBI | CHEBI:167508 |
| DTXSID | DTXSID10942624 |
Chemical & Physical Properties
| XLogP | -1.9 |
|---|---|
| Topological polar surface area | 63.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 204 |
| Melting point | >300 °C(lit.) |
| Boiling point | 295.5±23.0 °C(Predicted) |
| Density | 1.256±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Aqueous Acid (Slightly)Soluble to 100 mM in water |
| Physical state | Solid |
| pKa (acidity coefficient) | 2.58±0.20(Predicted) |
| Color | White |
| InChI | 1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8/m1/s1 |
| InChIKey | MPUVBVXDFRDIPT-RSHNMJPRSA-N |
| SMILES | NC1(C[C@@H]2CC[C@H]1C2)C(O)=O |
| CAS DataBase Reference | 20448-79-7(CAS DataBase Reference) |
| UNSPSC Code | 12352106 |
| NACRES | NA.26 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Amino-2-norbornanecarboxylic Acid functions in the suppressive effect of I-type amino acid transporter 1 inhibition as therapeutic target on human esophageal squamous cell carcinoma. Also use in the design and preparation of KMH-233, selective and slowly reversible inhibitor of L-type amino acid transporter 1 (LAT1) which potentiates antiproliferative drug efficacy in cancer cells
General Description
2-Amino-2-norbornanecarboxylic acid is a potential large amino acid transporters inhibitor. It may suppress tumor progression and apoptosis.