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C-021

CAT: 0804-HY-103364-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103364-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C-021 is a potent CC chemokine receptor-4 (CCR4) antagonist. C-021 potently inhibits functional chemotaxis in human and mouse with IC50s of 140 nM and 39 nM, respectively. C-021 effectively prevents human CCL22-derived [35S]GTPγS from binding to the receptor with an IC50 of 18 nM[1].
CAS Number
864289-85-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
CCR
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/c-021.html
Purity
99.95
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 80°C) |Ethanol : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
COC1=CC2=NC(N3CCC(N4CCCCC4)CC3)=NC(NC5CCCCCC5)=C2C=C1OC
Molecular Formula
C27H41N5O2
Molecular Weight
467.65
Precautions
H302, H315, H319
References & Citations
[1]Yokoyama K, et al. Potent and orally bioavailable CCR4 antagonists: Synthesis and structure-activity relationship study of 2-aminoquinazolines. Bioorg Med Chem. 2009 Jan 1;17 (1) :64-73.|[2]Matthew McMillin, et al. Neuronal CCL2 is upregulated during hepatic encephalopathy and contributes to microglia activation and neurological decline. J Neuroinflammation. 2014 Jul 10;11:121.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CCR4

Chemical Information

N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CAS Number864289-85-0
PubChem CID25141190
IUPAC NameN-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine
Molecular FormulaC27H41N5O2
Molecular Weight467.6
XLogP6
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity602
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CCCCC4)NC5CCCCCC5)OC
InChI
InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)
InChIKey
WYVBISCFCHREDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CAS: 864289-85-0
CID: 25141190
Formula: C27H41N5O2
MW: 467.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.6
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass467.32602557
Monoisotopic Mass467.32602557
Topological Polar Surface Area62.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity602
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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