Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
BMS-813160 BMS-813160 is a potent, well-absorbed dual CCR2 and CCR5 chemokine antagonist. BMS-813160 inhibits inflammatory processes, angiogenesis, tumor cell migration, tumor cell proliferation and invasion.
Targets
CCR2 ; CCR5
| ALogP | 2.7 |
|---|
| Pubchem Sid | 528763479 |
|---|---|
| Sourires canoniques | CC(=O)NC1CC(CCC1N2CCC(C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)C |
| 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 |
| InChIKey | CMVHFGNTABZQJU-HCXYKTFWSA-N |
| 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 |
| Isomères SMILES | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)C |
| PubChem CID | 51039119 |
| Poids moléculaire | 484.64 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Classe | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Alpha amino acids and derivatives |
| Alternative Parents | Pyrazolo[1,5-a][1,3,5]triazines Pyrazolotriazines Cyclohexylamines N-aliphatic s-triazines Secondary alkylarylamines 1,3,5-triazines N-alkylpyrrolidines Pyrrolidine-2-ones Acetamides Heteroaromatic compounds Tertiary carboxylic acid amides Pyrazoles Tertiary amines Lactams Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - Amino-1,3,5-triazine - Aminotriazine - Cyclohexylamine - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - Pyrrolidone - 1,3,5-triazine - 2-pyrrolidone - N-alkylpyrrolidine - Triazine - Azole - Pyrazole - Heteroaromatic compound - Pyrrolidine - Acetamide - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
| External Descriptors | Not available |
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| Sensibilité | Light sensitive |
|---|---|
| Poids moléculaire | 484.600 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 484.327 Da |
| Monoisotopic Mass | 484.327 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 778.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |