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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H38F2N2O5S2
Molecular Weight 632.781
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-5672

SMILES

CCN(C1CCN(CC[C@H](C2=CC=C(C=C2)S(C)(=O)=O)C3=CC(F)=CC(F)=C3)CC1)C(=O)CC4=CC=C(C=C4)S(C)(=O)=O

InChI

InChIKey=SCXSQUUTGCWHFU-WJOKGBTCSA-N
InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H38F2N2O5S2
Molecular Weight 632.781
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

AZD5672 was developed by AstraZeneca for the treatment of rheumatoid arthritis. It was found that the drug inhibits P-glycoprotein and is a CCR5 antagonist. Exists hypothesis that inhibition of CCR5 can bring benefits in the treatment of rheumatoid arthritis. In July 2009, Phase-II for Rheumatoid arthritis was discontinued.

Originator

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
20-150 mg once daily
Route of Administration: Oral
Substance Class Chemical
Record UNII
61XQN688TW
Record Status Validated (UNII)
Record Version