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BMS-753426 , CAS No.B608136, Antagonist of CCR2;Antagonist of CCR5

  • Moligand™
Item Number
B608136
Grouped product items
SKUSizeAvailabilityPrice Qty
B608136-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$920.90
B608136-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$3,200.90
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CCR2 Antagonist CCR5 Antagonist

Basic Description

SynonymsBMS753426;compound 2d
Specifications & PurityMoligand™
GradeMoligand™
Action TypeANTAGONIST
Mechanism of actionAntagonist of CCR2;Antagonist of CCR5

Associated Targets

CYP2D6 Tclin Cytochrome P450 2D6 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

CYP2C19 Tchem Cytochrome P450 2C19 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

CYP3A4 Tclin Cytochrome P450 3A4 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

CCR2 Tchem C-C chemokine receptor type 2 4 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)

CYP2C9 Tchem Cytochrome P450 2C9 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

SCN5A Tclin Sodium channel protein type 5 subunit alpha 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 0 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Names and Identifiers

IUPAC Name N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide
INCHI InChI=1S/C25H33F3N6O2/c1-14(35)31-20-12-16(33-24(2,3)4)6-8-21(20)34-10-9-19(23(34)36)32-22-17-11-15(25(26,27)28)5-7-18(17)29-13-30-22/h5,7,11,13,16,19-21,33H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t16-,19+,20-,21+/m1/s1
InChi Key QAPTWHXHEYAIKG-RCOXNQKVSA-N
Canonical SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C
Isomeric SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC3=NC=NC4=C3C=C(C=C4)C(F)(F)F)NC(C)(C)C
PubChem CID 23725180

Certificates

Certificate of Analysis(COA)

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Related Documents

 SDS

 Specification Sheet

References

1. Yang MG, Xiao Z, Zhao R, Tebben AJ, Wang B, Cherney RJ, Batt DG, Brown GD, Cvijic ME, Duncia JV et al..  (2021)  Discovery of BMS-753426: A Potent Orally Bioavailable Antagonist of CC Chemokine Receptor 2..  ACS Med Chem Lett,  12  (6): (969-975).  [PMID:34141082]

Solution Calculators

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