BMS-813160 - ≥98% , C-C chemokine receptor type 5 antagonist, CAS No.1286279-29-5, C-C chemokine receptor type 5 antagonist

CAS: 1286279-29-5 Cat. No.: B412168 Molecular Weight: 484.64 PubChem CID: 51039119
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
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
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
B412168-1mg
5
$57.90
5mg
B412168-5mg
5
$197.90
10mg
B412168-10mg
4
$304.90
25mg
B412168-25mg
3
$593.90
50mg
B412168-50mg
1
$958.90
100mg
B412168-100mg
2
$1,690.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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

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
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
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.
Storage
Protected from light, Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Mechanism of action
C-C chemokine receptor type 5 antagonist
Purity
≥98%
Product Properties
ALogP2.7
Names and Identifiers
Pubchem Sid488201477
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488201477
Canonical SmilesCC(=O)NC1CC(CCC1N2CCC(C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)C
IUPAC NameN-[(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
InChIKeyCMVHFGNTABZQJU-HCXYKTFWSA-N
INCHI1S/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
Isomeric 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
Molecular Weight 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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives
Direct ParentAlpha 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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CCR2 Tchem C-C chemokine receptor type 2 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCR5 Tclin C-C chemokine receptor type 5 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR1 Tchem C-C chemokine receptor type 1 (1730 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR4 Tclin C-C chemokine receptor type 4 (2819 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCR2 Tchem Interleukin-8 receptor B (3491 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR2 Tchem C-C chemokine receptor type 2 (5628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot NumberCertificate TypeDateItem
C2322455Certificate of AnalysisJan 26, 2026 B412168
C2322454Certificate of AnalysisJan 26, 2026 B412168
C2322453Certificate of AnalysisJan 26, 2026 B412168
C2322451Certificate of AnalysisJan 26, 2026 B412168
C2322449Certificate of AnalysisJan 26, 2026 B412168
C2322447Certificate of AnalysisJan 26, 2026 B412168
C2322434Certificate of AnalysisJan 19, 2026 B412168
C2322442Certificate of AnalysisJan 19, 2026 B412168
C2322444Certificate of AnalysisJan 19, 2026 B412168
C2322445Certificate of AnalysisJan 19, 2026 B412168
C2322452Certificate of AnalysisJan 19, 2026 B412168
C2322441Certificate of AnalysisFeb 02, 2023 B412168
F2520132Certificate of AnalysisFeb 02, 2023 B412168

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Chemical and Physical Properties
SolubilitySolubility (25°C) In vitro DMSO: 97 mg/mL (200.14 mM); Ethanol: 97 mg/mL (200.14 mM); Water: Insoluble;
SensitivityLight sensitive
Molecular Weight484.600 g/mol
XLogP32.700
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass484.327 Da
Monoisotopic Mass484.327 Da
Topological Polar Surface Area117.000 Ų
Heavy Atom Count35
Formal Charge0
Complexity778.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
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]
Solution Calculators
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