JTE-952

CAT: 0931-T11729-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T11729-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1255303-54-8

Target

C-Fms, Histamine Receptor

Related Pathways

Neuroscience, GPCR/G Protein, Tyrosine Kinase/Adaptors, Immunology/Inflammation

Bioactivity

JTE-952 is a oral, potent 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.

Smiles

C(=O)(N1CC(C1)C2=CC(OC)=C(OCC3=CC=C(C=C3)C4CC4)C=C2)C5=CC(COC[C@H](CO)O)=CC=N5

Molecular Formula

C30H34N2O6

Molecular Weight

518.6

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone

CAS Number	1255303-54-8
PubChem CID	49806372
IUPAC Name	[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[[(2S)-2,3-dihydroxypropoxy]methyl]-2-pyridinyl]methanone
Molecular Formula	C30H34N2O6
Molecular Weight	518.6
XLogP	2.9
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Heavy Atom Count	38
Formal Charge	0
Complexity	736

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

CAS: 1255303-54-8

CID: 49806372

Formula: C30H34N2O6

MW: 518.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	518.6
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Exact Mass	518.24168681
Monoisotopic Mass	518.24168681
Topological Polar Surface Area	101 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	736
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T205743-01	MRK-952
T19705-01	JTE-907
T70398-01	JTE 151A
T86775-01	JTE-151
T27695-01	JTE-607
T15629-01	JTE-013
T24218-01	JTE 7-31
T24219-01	JTE-607 free base
T4529-01	ASP-9521
T26901-01	BRD-9526

Alternative Products

Catalog	Name
BA8858-10	JTE-952
BJ168569-01	JTE 952
A18391-100	JTE-952 100mg
A18391-5	JTE-952 5mg
A18391-50	JTE-952 50mg
A18391-25	JTE-952 25mg
A18391-10	JTE-952 10mg
GTR19249039-01	MRK-952
M22938-01	JTE-013
B7038-10	JTE 013

JTE-952

Chemical Information

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