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Synonyms
BMS 813160 [WHO-DD] | AC-31373 | BMS 813160 | BMS 813160 - Bio-X | Acetamide, N-((1R,2S,5R)-5-((1,1-dimethylethyl)amino)-2-((3S)-3-((7-(1,1-dimethylethyl)pyrazolo(1,5-a)-1,3,5-triazin-4-yl)amino)-2-oxo-1-pyrrolidinyl)cyclohexyl)- | BMS813160 | BMS-813160
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
Descripción general 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
Specifications Sinónimos
BMS 813160 [WHO-DD] | AC-31373 | BMS 813160 | BMS 813160 - Bio-X | Acetamide, N-((1R, 2S, 5R)-5-((1, 1-dimethylethyl)amino)-2-((3S)-3-((7-(1, 1-dimethylethyl)pyrazolo(1, 5-a)-1, 3, 5-triazin-4-yl)amino)-2-oxo-1-pyrrolidinyl)cyclohexyl)- | BMS813160 | BMS-813160
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
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.
Condiciones de almacenamiento de almacenamiento
Protected from light, Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Mecanismo de acción
C-C chemokine receptor type 5 antagonist
Propiedades del producto Nombres e identificadores Pubchem Sid 488201477 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488201477 Sonrisas canónicas 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 Isómeros 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 Peso molecular 484.64
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Clase 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 Descripción 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solubility (25°C) In vitro DMSO: 97 mg/mL (200.14 mM); Ethanol: 97 mg/mL (200.14 mM); Water: Insoluble; Sensibilidad Light sensitive Peso molecular 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
Referencias 1. Ding Qiu, Shuishen Zhang, Chanyan Huang, Xinying Wang, Jianping Deng, Haiyang Sun, Bingbing Feng, Ying Tan, Kaile Ji, Shaoting Xu, Xiaoqi Ye, Chao Cheng, Shigeru Kakuta, Yoshiyuki Adachi, Yoichiro Iwakura, Shuai Wang, Shaowei Dong, Ce Tang. (2025) Dectin-1 facilitates lung fungal-mediated pulmonary fibrosis. IMMUNITY, 58 (7): (1811-1829). [PMID:40494347 ] [10.1016/j.immuni.2025.05.007 ]
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