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BMS-681 , CAS No.B608133, Antagonist of CCR2;Antagonist of CCR5

Moligand™

PubChem CID: 68764898

Item Number

B608133

Grouped product items
SKU	Size	Availability	Price	Qty
B608133-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,300.90
B608133-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,300.90

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CCR2 Antagonist CCR5 Antagonist

Synonyms

compound 13d

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of CCR2;Antagonist of CCR5

Associated Targets

CCR2 Tchem C-C chemokine receptor type 2 5 Activities

Discover Target: CCR2

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

CCR5 Tclin C-C chemokine receptor type 5 4 Activities

Discover Target: CCR5

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

CHRM4 Tclin Muscarinic acetylcholine receptor M4 0 Activities

Discover Target: CHRM4

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

CHRM2 Tclin Muscarinic acetylcholine receptor M2 0 Activities

Discover Target: CHRM2

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 0 Activities

Discover Target: CHRM1

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

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 1 Activities

Discover Target: KCNH2

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

Names and Identifiers

IUPAC Name	(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one
INCHI	InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1
InChi Key	NUJWKQSEJDYCDB-GNRVTEMESA-N
Canonical SMILES	CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C
Isomeric SMILES	CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC3=NC=NC4=C3C=C(C=C4)C(F)(F)F)N(C)C(C)C
PubChem CID	68764898

PubChem CID

ChEMBL Ligand

RCSB PDB Ligand

GPCRdb Ligand

References

1. O'Connor T, Borsig L, Heikenwalder M. (2015) CCL2-CCR2 Signaling in Disease Pathogenesis.. Endocr Metab Immune Disord Drug Targets, 15 (2): (105-18). [PMID:25772168]
2. Carter PH, Brown GD, Cherney RJ, Batt DG, Chen J, Clark CM, Cvijic ME, Duncia JV, Ko SS, Mandlekar S et al.. (2015) Discovery of a Potent and Orally Bioavailable Dual Antagonist of CC Chemokine Receptors 2 and 5.. ACS Med Chem Lett, 6 (4): (439-44). [PMID:25893046]

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BMS-681 , CAS No.B608133, Antagonist of CCR2;Antagonist of CCR5

Basic Description