Cenicriviroc | B3026

Cenicriviroc is a potent inhibitor of C-C chemokine receptors CCR5 and CCR2. It is an orally bioavailable derivative of TAK-779 with potent anti-HIV-1 activity. It blocks the binding of MIP-1α and MIP-1β to CCR5 with an IC₅₀ of 2.3 nM. It inhibits the binding of MCP-1 to CCR2b with an IC₅₀ of 5.9 nM. It inhibits the replication of R5X4HIV-1 in U87.CD4.CCR5 cells at a concentration of 100 nM. It shows potent anti-inflammatory and antifibrotic activity in animal models of fibrosis.

Cenicriviroc is a potent inhibitor of C-C chemokine receptors CCR5 and CCR2. It is an orally bioavailable derivative of TAK-779 with potent anti-HIV-1 activity. It blocks the binding of MIP-1α and MIP-1β to CCR5 with an IC₅₀ of 2.3 nM. It inhibits the binding of MCP-1 to CCR2b with an IC₅₀ of 5.9 nM. It inhibits the replication of R5X4HIV-1 in U87.CD4.CCR5 cells at a concentration of 100 nM. It shows potent anti-inflammatory and antifibrotic activity in animal models of fibrosis.

B3026 | Cenicriviroc DataSheet

Alternate Name/Synonyms: TAK-652; TBR-652; (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; (S,E)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-(((1-propyl-1H-imidazol-5-yl)methyl)sulfinyl)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide

Appearance: Yellow Solid

Formulation:

CAS Number: 497223-25-3

Structure Available?: TRUE

Peptide sequence:

Salt Form: FALSE

Molecular Formula: C₄₁H₅₂N₄O₄S

Molecular Weight: 696.94

Cell-Permeable?: TRUE

Purity: ≥98%

Solubilities: ~5 mg/ml in ethanol, ~20 mg/ml in DMSO and DMF

Handling: Do not take internally. Wear gloves and mask when handling the product! Avoid contact by all modes of exposure.

Country of Origin: USA

Tag Line: A potent inhibitor of CCR5 and CCR2

MDL Number: MFCD28502076

PubChem CID: 11285792

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

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