Elarofiban anhydrous (CHEM137391)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 17:53:34 UTC | ||||||||
| Update Date | 2026-08-21 23:01:59 UTC | ||||||||
| Accession Number | CHEM137391 | ||||||||
| Identification | |||||||||
| Common Name | Elarofiban anhydrous | ||||||||
| Class | Small Molecule | ||||||||
| Description | Elarofiban anhydrous is an organic compound with the formula C22H32N4O4 and an average molecular weight of 416.52 g/mol. Elarofiban anhydrous belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. Regarding its biological activity, there are two recorded protein targets for this compound. It acts as a modulator of Integrin beta-3 (ITGB3) and Integrin alpha-IIb (ITGA2B). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H32N4O4 | ||||||||
| Average Molecular Mass | 416.522 g/mol | ||||||||
| Monoisotopic Mass | 416.242 g/mol | ||||||||
| CAS Registry Number | 198958-88-2 | ||||||||
| IUPAC Name | (3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)C1=CN=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1 | ||||||||
| InChI Key | ABNXKGFLZFSILK-MOPGFXCFSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
