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JTE-607 Dihydrochloride

CAT: 1568-C01186-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C01186-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
188791-09-5
Target
TNF-alpha
Applications
Apoptosis
Smiles
Cl.Cl.CCOC (=O) C (CC1=CC=CC=C1) NC (=O) C2=CC (=C (OCCN3CCN (C) CC3) C (=C2O) Cl) Cl
Molecular Formula
C25H31Cl2N3O5.2ClH
Additionnal Information
JTE-607 Dihydrochloride is a prodrug compound that is converted to an active form by ester hydrolysis. JTE-607 is a multiple cytokine production inhibitor that targets CPSF3 and inhibits pre-mRNA processing. JTE-607 inhibits tumor necrosis factor (TNF) -alpha, interleukin (IL) -1beta, IL-6, IL-8 and IL-10, from LPS-stimulated human PBMCs, with IC50 values of 11 nM, 5.9 nM, 8.8 nM, 7.3 nM and 9.1 nM, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Jte-607

JTE-607 dihydrochloride is the dihydrochloride salt of JTE-607. It is a cytokine inhibitor which suppresses the production of proinflammatory cytokines such as interleukin (IL-1beta), IL-6, IL-8, granulocyte macrophage colony stimulating factor (GM-CSF), and tumor necrosis factor (TNF-alpha). It acts as a pro-drug which is cleaved by carboxylesterase 1 (CES1) to its active free acid form, which then binds to cleavage and polyadenylation specificity factor 3 (CPSF3). It has a role as a CPSF3 inhibitor, an antineoplastic agent, a prodrug, an anti-inflammatory agent, an apoptosis inducer and a cardioprotective agent. It contains a JTE-607(2+).

CAS Number188791-09-5
PubChem CID9938544
IUPAC Nameethyl (2S)-2-[[3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]amino]-3-phenylpropanoate;dihydrochloride
Molecular FormulaC25H33Cl4N3O5
Molecular Weight597.4
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity673
SMILES
CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2O)Cl)OCCN3CCN(CC3)C)Cl.Cl.Cl
InChI
InChI=1S/C25H31Cl2N3O5.2ClH/c1-3-34-25(33)20(15-17-7-5-4-6-8-17)28-24(32)18-16-19(26)23(21(27)22(18)31)35-14-13-30-11-9-29(2)10-12-30;;/h4-8,16,20,31H,3,9-15H2,1-2H3,(H,28,32);2*1H/t20-;;/m0../s1
InChIKey
JUJAUEQJEWIWCQ-FJSYBICCSA-N
Chemical Structure
2D Structure
2D structure of Jte-607
CAS: 188791-09-5
CID: 9938544
Formula: C25H33Cl4N3O5
MW: 597.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass597.114482
Monoisotopic Mass595.117432
Topological Polar Surface Area91.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
E0314-1gJTE-607 Dihydrochloride
5185/50JTE 607 dihydrochloride
BA6011-50JTE-607
530225JTE-607 HCl
HY-110133AJTE-607 (free base)

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