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CCX140

CAT: 0013-GTR19175044-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175044-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CCX140-B is a selective CCR2 chemokine receptor antagonist. It has been utilized in research to investigate the role of CCR2 in inflammatory and metabolic diseases, including studies in animal models of diabetic nephropathy and atherosclerosis.
CAS Number
1100318-47-5
Product Name Alternative
CCX 140, CCX140, CCX-140, CCX140-B, CCR5, CCR2, hCCR2
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
97.58% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (8.07 mM) ; H2O:0.25 mg/mL (0.5 mM) ; DMSO:100 mg/mL (201.67 mM)
Smiles
Cc1cnc (C (=O) c2ncnc3[nH]ccc23) c (NS (=O) (=O) c2ccc (Cl) c (c2) C (F) (F) F) c1
Molecular Formula
C20H13ClF3N5O3S
Molecular Weight
495.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ilacirnon

Ilacirnon (CCX-140) is under investigation in clinical trial NCT01440257 (A Study to Evaluate the Effect of CCX140-B on Urinary Albumin Excretion in Subjects With Type 2 Diabetes and Albuminuria).

CAS Number1100318-47-5
PubChem CID25134303
IUPAC Name4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
Molecular FormulaC20H13ClF3N5O3S
Molecular Weight495.9
XLogP4.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity827
SMILES
CC1=CC(=C(N=C1)C(=O)C2=C3C=CNC3=NC=N2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
InChI
InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)
InChIKey
LUUMLYXKTPBTQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ilacirnon
CAS: 1100318-47-5
CID: 25134303
Formula: C20H13ClF3N5O3S
MW: 495.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.9
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass495.0379726
Monoisotopic Mass495.0379726
Topological Polar Surface Area126 Ų
Heavy Atom Count33
Formal Charge0
Complexity827
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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