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JNJ-41443532

CAT: 0804-HY-13499-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13499-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JNJ-41443532 (CCR2 antagonist 5) is a selective, orally active hCCR2 inhibitor with good binding affinity (IC50=37 nM) and potent functional antagonism (chemotaxis IC50=30 nM) . JNJ-41443532 displays a Ki of 9.6 μM for mCCR2 binding. JNJ-41443532 can be used in the research of inflammatory disease[1].
CAS Number
1228650-83-6
Product Name Alternative
CCR2 antagonist 5
UNSPSC
12352005
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/jnj-41443532.html
Purity
99.65
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(CNC(C1=CC(C(F)(F)F)=CC=C1)=O)NC2CN(C2)[C@](CC3)([H])CC[C@@]3(C4=CN=CS4)O
Molecular Formula
C22H25F3N4O3S
Molecular Weight
482.52
References & Citations
[1]Zhang X, et al. Discovery of a 4-Azetidinyl-1-thiazoyl-cyclohexane CCR2 Antagonist as a Development Candidate. ACS Med Chem Lett. 2012 Oct 8;3 (12) :1039-44.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
CCR2

Chemical Information

Unii-0ojb0les1A

JNJ-41443532 has been used in trials studying the basic science and treatment of Diabetes Mellitus, Type 2.

CAS Number1228650-83-6
PubChem CID46208367
IUPAC NameN-[2-[[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular FormulaC22H25F3N4O3S
Molecular Weight482.5
XLogP2.3
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity711
SMILES
C1CC(CCC1N2CC(C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)(C4=CN=CS4)O
InChI
InChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)27-10-19(30)28-16-11-29(12-16)17-4-6-21(32,7-5-17)18-9-26-13-33-18/h1-3,8-9,13,16-17,32H,4-7,10-12H2,(H,27,31)(H,28,30)
InChIKey
CFKBNYUHQSQBSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unii-0ojb0les1A
CAS: 1228650-83-6
CID: 46208367
Formula: C22H25F3N4O3S
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass482.15994633
Monoisotopic Mass482.15994633
Topological Polar Surface Area123 Ų
Heavy Atom Count33
Formal Charge0
Complexity711
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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