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C-021

CAT: 0013-GTR19172969-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172969-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C-021 dihydrochloride is a potent and selective CCR4 antagonist, inhibiting human and mouse chemotaxis with IC50 values of 140 nM and 39 nM, respectively. It blocks CCL22-induced GTPγS binding (IC50: 18 nM) and is a valuable tool for investigating CCR4-mediated responses in both in vitro and in vivo immunological research models.
CAS Number
864289-85-0
Product Name Alternative
4-​Quinazolinamine, 2-​[1, ​4'-​bipiperidin]​-​1'-​yl-​N-​cycloheptyl-​6, ​7-​dimethoxy-, CCR, CCL22, C 021, C021, C-021, CC chemokine receptor, CCR4, chemotaxis, inhibit, Inhibitor, GTPγS
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
99.74% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:0.5 mg/mL (1.07 mM) ; DMSO:9 mg/mL (19.25 mM)
Smiles
N (C=1C2=C (N=C (N1) N3CCC (CC3) N4CCCCC4) C=C (OC) C (OC) =C2) C5CCCCCC5
Molecular Formula
C27H41N5O2
Molecular Weight
467.65
Storage Conditions
-20°C
Notes
For research use only.

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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