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INCB3344

CAT: 0013-GTR19166294-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166294-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
INCB3344 is a potent, selective, and orally bioavailable CCR2 antagonist, demonstrating low nanomolar IC50 values in both binding and chemotaxis assays for mouse and human CCR2. It is a valuable research tool for investigating CCR2-mediated pathways in inflammatory and metabolic diseases in both in vitro and in vivo models.
CAS Number
1262238-11-8
Product Name Alternative
CCR2, CC chemokine receptor, CCR, INCB 3344, INCB3344, INCB-3344, inhibit, Inhibitor
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
DMSO:145 mg/mL (251.04 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:5 mg/mL (8.66 mM) ; H2O:Insoluble
Smiles
[H][C@@]1 (CC[C@] (O) (CC1) c1ccc2OCOc2c1) N1C[C@H] (NC (=O) CNC (=O) c2cccc (c2) C (F) (F) F) [C@H] (C1) OCC
Molecular Formula
C29H34F3N3O6
Molecular Weight
577.59
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

N-(2-(((3S,4S)-1-(4-(Benzo[d][1,3]dioxol-5-yl)-4-hydroxycyclohexyl)-4-ethoxypyrrolidin-3-yl)amino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CAS Number1262238-11-8
PubChem CID10008367
IUPAC NameN-[2-[[(3S,4S)-1-[4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular FormulaC29H34F3N3O6
Molecular Weight577.6
XLogP3.3
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity915
SMILES
CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O
InChI
InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21?,22-,25-,28?/m0/s1
InChIKey
MZEOSVPWMSEFPW-XYCDVDSTSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(((3S,4S)-1-(4-(Benzo[d][1,3]dioxol-5-yl)-4-hydroxycyclohexyl)-4-ethoxypyrrolidin-3-yl)amino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CAS: 1262238-11-8
CID: 10008367
Formula: C29H34F3N3O6
MW: 577.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.6
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass577.23997030
Monoisotopic Mass577.23997030
Topological Polar Surface Area109 Ų
Heavy Atom Count41
Formal Charge0
Complexity915
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A3494-5INCB3344
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A11465-25INCB3344 25mg
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A11465-100INCB3344 100mg
A11465-5INCB3344 5mg
A11465-1INCB3344 1mg
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