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CCR2 antagonist 1 - 98%, high purity , CAS No.1683534-96-4

COA

Grade & Purity:

≥98%

Cas Number: 1683534-96-4
Molecular Weight: 549.47
PubChem CID: 73334813

In stock

Item Number

C650686

Grouped product items
SKU	Size	Availability	Price
C650686-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$220.90
C650686-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$680.90
C650686-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,100.90
C650686-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,500.90

View related series

CCR (85) Class A GPCR (4138) GPCR/G Protein (3172) Immunology/Inflammation (1929)

Basic Description

Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	CCR2 antagonist 1 is a high-affinity and long-residence-time CCR2 antagonist, with a K i of 2.4 nM.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	CCR2 antagonist 1 is a high-affinity and long-residence-time CCR2 antagonist, with a K i of 2.4 nM. In Vitro The combination of SAR and SKR in the hit-to-lead process results in the discovery of a new higheaffinity and longeresidenceetime CCR2 antagonist (CCR2 antagonist 1 (compound 15a), K i =2.4 nM; RT=714 min). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:CCR2 2.4 nM (Ki)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Gamma amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Gamma amino acids and derivatives
Alternative Parents	Tetrahydroisoquinolines Indanes Aralkylamines Aryl bromides Tertiary carboxylic acid amides Dialkylamines Azacyclic compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Gamma amino acid or derivatives - Tetrahydroisoquinoline - Indane - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Alkyl fluoride - Organofluoride - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CCR2 Tchem C-C chemokine receptor type 2 (1 Activities)

Discover Target: CCR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CCR2 Tchem C-C chemokine receptor type 2 (5628 Activities)

Discover Target: CCR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[(1S,3R)-3-[[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
INCHI	InChI=1S/C28H32BrF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25-,27+/m1/s1
InChIKey	QYDUEIJZRKTNKN-HYZYYIOASA-N
Smiles	CC(C)C1(CCC(C1)NC2CCC3=C2C=CC(=C3)Br)C(=O)N4CCC5=C(C4)C=C(C=C5)C(F)(F)F
Isomeric SMILES	CC(C)[C@@]1(CC[C@H](C1)N[C@@H]2CCC3=C2C=CC(=C3)Br)C(=O)N4CCC5=C(C4)C=C(C=C5)C(F)(F)F
PubChem CID	73334813
Molecular Weight	549.47

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