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INCB 3284

CAT: 0013-GTR19205585-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205585-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
INCB 3284 is a potent, selective, and orally bioavailable antagonist of the human CCR2 receptor, blocking its interaction with MCP-1. It is a valuable research tool for investigating CCR2-mediated pathways in inflammatory diseases and has been utilized in preclinical studies, including models of hemorrhagic shock.
CAS Number
887401-92-5
Product Name Alternative
INCB 3284, INCB3284, INCB-3284, MCP-1-hCCR2, CCR2
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
97.81% (May vary between batches)
Solubility
DMSO:60 mg/mL (115.26 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.84 mM) ; H2O:< 0.1 mg/mL (insoluble)
Smiles
COc1ccc (cn1) [C@@]1 (O) CC[C@@H] (CC1) N1CC[C@H] (C1) NC (=O) CNC (=O) c1cccc (c1) C (F) (F) F
Molecular Formula
C26H31F3N4O4
Molecular Weight
520.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzamide, N-(2-(((3R)-1-(trans-4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl)-3-pyrrolidinyl)amino)-2-oxoethyl)-3-(trifluoromethyl)-

See also: Incb-3284 (annotation moved to).

CAS Number887401-92-5
PubChem CID11527661
IUPAC NameN-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular FormulaC26H31F3N4O4
Molecular Weight520.5
XLogP2.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity790
SMILES
COC1=NC=C(C=C1)C2(CCC(CC2)N3CC[C@H](C3)NC(=O)CNC(=O)C4=CC(=CC=C4)C(F)(F)F)O
InChI
InChI=1S/C26H31F3N4O4/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34)/t20-,21?,25?/m1/s1
InChIKey
NXZNYBUBXWWKCP-JMOWIOHXSA-N
Chemical Structure
2D Structure
2D structure of Benzamide, N-(2-(((3R)-1-(trans-4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl)-3-pyrrolidinyl)amino)-2-oxoethyl)-3-(trifluoromethyl)-
CAS: 887401-92-5
CID: 11527661
Formula: C26H31F3N4O4
MW: 520.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass520.22973997
Monoisotopic Mass520.22973997
Topological Polar Surface Area104 Ų
Heavy Atom Count37
Formal Charge0
Complexity790
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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