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AZD5672 , C-C chemokine receptor type 5 antagonist, CAS No.A607874, C-C chemokine receptor type 5 antagonist

Moligand™

PubChem CID: 11614352

Item Number

A607874

Grouped product items
SKU	Size	Availability	Price	Qty
A607874-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
A607874-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,800.90

View related series

CCR5 Antagonist

Synonyms

AZD 5672;AZD-5672

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

C-C chemokine receptor type 5 antagonist

Associated Targets

CYP2D6 Tclin Cytochrome P450 2D6 0 Activities

Discover Target: CYP2D6

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

CYP2C19 Tchem Cytochrome P450 2C19 0 Activities

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 0 Activities

Discover Target: CYP3A4

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

CCR5 Tclin C-C chemokine receptor type 5 3 Activities

Discover Target: CCR5

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

CYP2C9 Tchem Cytochrome P450 2C9 0 Activities

Discover Target: CYP2C9

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

CYP1A1 Tchem Cytochrome P450 1A1 0 Activities

Discover Target: CYP1A1

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

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

Discover Target: KCNH2

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

Names and Identifiers

IUPAC Name	N-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
INCHI	InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1
InChi Key	QOSMEMHKXNNIGG-SSEXGKCCSA-N
Canonical SMILES	CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C
Isomeric SMILES	CCN(C1CCN(CC1)CC[C@H](C2CCN(CC2)S(=O)(=O)C)C3=CC(=CC(=C3)F)F)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C
PubChem CID	11614352

PubChem CID

11614352

ChEMBL Ligand

CHEMBL1951914

GPCRdb Ligand

AZD5672

References

1. Katschke Jr KJ, Rottman JB, Ruth JH, Qin S, Wu L, LaRosa G, Ponath P, Park CC, Pope RM, Koch AE. (2001) Differential expression of chemokine receptors on peripheral blood, synovial fluid, and synovial tissue monocytes/macrophages in rheumatoid arthritis.. Arthritis Rheum, 44 (5): (1022-32). [PMID:11352233]
2. Haringman JJ, Smeets TJ, Reinders-Blankert P, Tak PP. (2006) Chemokine and chemokine receptor expression in paired peripheral blood mononuclear cells and synovial tissue of patients with rheumatoid arthritis, osteoarthritis, and reactive arthritis.. Ann Rheum Dis, 65 (3): (294-300). [PMID:16107514]
3. Cumming JG, Tucker H, Oldfield J, Fielding C, Highton A, Faull A, Wild M, Brown D, Wells S, Shaw J. (2012) Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis.. Bioorg Med Chem Lett, 22 (4): (1655-9). [PMID:22266038]
4. Takeuchi T, Kameda H. (2012) What is the future of CCR5 antagonists in rheumatoid arthritis?. Arthritis Res Ther, 14 (2): (114). [PMID:22494450]

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