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JTE-013

CAT: 0013-GTR19157357-07Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157357-07Size:25 mg
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Description
JTE-013 is an effective and specific antagonist of S1P2. JTE-013 suppresses the specific binding of radiolabeled S1P to human and rat S1P2 (IC50s: 17 nM and 22 nM, respectively) .JTE-013 is a S1P2 antagonist. JTE-013 (50-200 μM; 1-3 days) decreased cell viability. JTE-013 shows 4.2% inhibition of S1P3 and does not antagonize S1P1 at concentrations up to 10 μM. JTE-013 (10-1000 nM; 30 mins) reverses S1P-induced Akt inhibition and inhibits S1P-induced ERK activation.JTE-013 (gavage; 30 mg/kg daily for 14 consecutive days) decreases tumor size and tumor weight. the modification of JTE-013 to produce the AB1 compound improved potency, intravenous pharmacokinetics, cellular activity, and antitumor activity in NB and may have enhanced clinical and experimental applicability.
CAS Number
383150-41-2
Purity
>98% (HPLC)
Solubility
DMSO:100 mg/mL (244.92 mM; Need ultrasonic)
Smiles
CC (C1=C2C (N (C) N=C2C) =NC (NNC (NC3=CC (Cl) =NC (Cl) =C3) =O) =C1) C
Molecular Formula
C17H19Cl2N7O
Molecular Weight
408.29
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Jte 013

an Edg-5 antagonist

CAS Number383150-41-2
PubChem CID10223146
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)amino]urea
Molecular FormulaC17H19Cl2N7O
Molecular Weight408.3
XLogP4.4
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity516
SMILES
CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C
InChI
InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
InChIKey
RNSLRQNDXRSASX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jte 013
CAS: 383150-41-2
CID: 10223146
Formula: C17H19Cl2N7O
MW: 408.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.3
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass407.1028136
Monoisotopic Mass407.1028136
Topological Polar Surface Area96.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity516
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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