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AZD-5672

CAT: 0931-T30260-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T30260-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
780750-65-4
Target
CCR, P-gp, Potassium Channel
Related Pathways
Membrane transporter/Ion channel, Neuroscience, Microbiology/Virology, GPCR/G Protein, Immunology/Inflammation
Purity
0.981
Bioactivity
AZD-5672 is an antagonist of CCR5 with an IC50 of 0.32 nM. AZD-5672 inhibits hERG cardiac ion channel binding and P-gp-mediated digoxin transport with IC50s of 7.3 μM and 32 μM. AZD-5672 can be used in studies about rheumatoid arthritis.
Smiles
CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Molecular Formula
C32H38F2N2O5S2
Molecular Weight
632.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azd-5672

Azd5672 has been used in trials studying the basic science and treatment of Pharmacokinetics, Renal Impairment, and Rheumatoid Arthritis.

CAS Number780750-65-4
PubChem CID16007088
IUPAC NameN-[1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
Molecular FormulaC32H38F2N2O5S2
Molecular Weight632.8
XLogP4.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count43
Formal Charge0
Complexity1090
SMILES
CCN(C1CCN(CC1)CC[C@H](C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC(=C3)F)F)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C
InChI
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
InChIKey
SCXSQUUTGCWHFU-WJOKGBTCSA-N
Chemical Structure
2D Structure
2D structure of Azd-5672
CAS: 780750-65-4
CID: 16007088
Formula: C32H38F2N2O5S2
MW: 632.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight632.8
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass632.21902099
Monoisotopic Mass632.21902099
Topological Polar Surface Area109 Ų
Heavy Atom Count43
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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