cenicriviroc - 97%, high purity , C-C chemokine receptor type 2 antagonist, CAS No.497223-25-3, C-C chemokine receptor type 2 antagonist

Item Number
C176619
Grouped product items
SKUSizeAvailabilityPrice Qty
C176619-1mg
1mg
In stock
$41.90
C176619-5mg
5mg
In stock
$173.90
C176619-25mg
25mg
In stock
$565.90
C176619-100mg
100mg
In stock
$1,708.90

Basic Description

Synonymss8512 | 15C116UA4Y | CENICRIVIROC [WHO-DD] | TAK 652 | 1-Benzazocine-5-carboxamide, 8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[[(1-propyl-1H-imidazol-5-yl)methyl]sulfinyl]phenyl]-, (5E)- | Cenicriviroc (USAN/INN) | BC179068 |
Specifications & PurityMoligand™, ≥97%
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeANTAGONIST
Mechanism of actionC-C chemokine receptor type 2 antagonist
Product Description

application:
Cenicriviroc is an experimental drug candidate for the treatment of HIV infection. It is an inhibitor of CCR2 and CCR5 receptors, allowing it to function as an entry inhibitor which prevents the virus from entering into a human cell.

general description:

Cenicriviroc (CVC, TAK-652, TBR-652) is a potent inhibitor of CC chemokine receptor 2 (CCR2) and CCR5. Cenicriviroc also inhibits HIV-1 and HIV-2 with potent anti-inflammatory and antiinfective activity.

Product Properties

ALogP7.5

Associated Targets(Human)

CCR2 Tchem C-C chemokine receptor type 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCR7 Tchem C-C chemokine receptor type 7 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCR5 Tclin C-C chemokine receptor type 5 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CCR5 Tclin C-C chemokine receptor type 5 (5640 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
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR7 Tchem C-C chemokine receptor type 7 (36 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Human immunodeficiency virus 1 (70413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
INCHI InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1
InChi Key PNDKCRDVVKJPKG-WHERJAGFSA-N
Canonical SMILES CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)CC5=CN=CN5CCC)CC(C)C
Isomeric SMILES CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)[S@@](=O)CC5=CN=CN5CCC)CC(C)C
PubChem CID 11285792
Molecular Weight 696.95

Certificates

Certificate of Analysis(COA)

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4 results found

Lot NumberCertificate TypeDateItem
G2213340Certificate of AnalysisJun 10, 2022 C176619
G2213490Certificate of AnalysisJun 10, 2022 C176619
G2213491Certificate of AnalysisJun 10, 2022 C176619
G2213510Certificate of AnalysisJun 10, 2022 C176619

Chemical and Physical Properties

SolubilityInsoluble in water;100 mg/mL(143.48 mM) in DMSO and ethanol;

Related Documents

References

1. Friedman SL, Ratziu V, Harrison SA, Abdelmalek MF, Aithal GP, Caballeria J, Francque S, Farrell G, Kowdley KV, Craxi A et al..  (2018)  A randomized, placebo-controlled trial of cenicriviroc for treatment of nonalcoholic steatohepatitis with fibrosis..  Hepatology,  67  (5): (1754-1767).  [PMID:28833331] [10.1021/op500134e]

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