BMS-813160 (CHEM133691)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 20:41:28 UTC | ||||||||
| Update Date | 2026-08-22 05:32:43 UTC | ||||||||
| Accession Number | CHEM133691 | ||||||||
| Identification | |||||||||
| Common Name | BMS-813160 | ||||||||
| Class | Small Molecule | ||||||||
| Description | BMS-813160 is an organic compound with the formula C25H40N8O2 and an average molecular weight of 484.65 g/mol. BMS-813160 belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound acts upon two recorded protein targets, serving as a modulator of C-C chemokine receptor type 2 (CCR2) and C-C chemokine receptor type 5 (CCR5). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H40N8O2 | ||||||||
| Average Molecular Mass | 484.649 g/mol | ||||||||
| Monoisotopic Mass | 484.327 g/mol | ||||||||
| CAS Registry Number | 1286279-29-5 | ||||||||
| IUPAC Name | N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-({7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl}amino)-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC2=NC=NC3=CC(=NN23)C(C)(C)C)C1=O)NC(C)(C)C | ||||||||
| InChI Identifier | InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1 | ||||||||
| InChI Key | CMVHFGNTABZQJU-HCXYKTFWSA-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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
