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JTE-952

CAT: 0804-HY-122906-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-122906-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JTE-952 is a potent, oral active and selective Type II inhibitor of colony stimulating factor-1 receptor (CSF-1R or cFMS, type III receptor tyrosine kinase), with IC50 values of 13 nM and 261 nM for CSF1R and TrkA , respectively. Effective against a mouse collagen-induced model of arthritis[1].
CAS Number
1255303-54-8
UNSPSC
12352005
Target
C-Fms
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/JTE-952.html
Purity
99.86
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1CC(C2=CC=C(OCC3=CC=C(C4CC4)C=C3)C(OC)=C2)C1)C5=NC=CC(COC[C@@H](O)CO)=C5
Molecular Formula
C30H34N2O6
Molecular Weight
518.60
References & Citations
[1]Ikegashira K, et al. Optimization of an azetidine series as inhibitors of colony stimulating factor-1 receptor (CSF-1R) Type II to lead to the clinical candidate JTE-952. Bioorg Med Chem Lett. 2019 Apr 1;29 (7) :873-877.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone
CAS Number1255303-54-8
PubChem CID49806372
IUPAC Name[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[[(2S)-2,3-dihydroxypropoxy]methyl]-2-pyridinyl]methanone
Molecular FormulaC30H34N2O6
Molecular Weight518.6
XLogP2.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity736
SMILES
COC1=C(C=CC(=C1)C2CN(C2)C(=O)C3=NC=CC(=C3)COC[C@H](CO)O)OCC4=CC=C(C=C4)C5CC5
InChI
InChI=1S/C30H34N2O6/c1-36-29-13-24(8-9-28(29)38-18-20-2-4-22(5-3-20)23-6-7-23)25-14-32(15-25)30(35)27-12-21(10-11-31-27)17-37-19-26(34)16-33/h2-5,8-13,23,25-26,33-34H,6-7,14-19H2,1H3/t26-/m0/s1
InChIKey
LTTJGQBDGMNWHJ-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of (3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone
CAS: 1255303-54-8
CID: 49806372
Formula: C30H34N2O6
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass518.24168681
Monoisotopic Mass518.24168681
Topological Polar Surface Area101 Ų
Heavy Atom Count38
Formal Charge0
Complexity736
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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