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ZED-1227

CAT: 0013-GTR19202898-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202898-02Size:2 mg
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Description
ZED-1227 (TAK-227) is a potent and selective oral inhibitor of transglutaminase 2 (TG2) with demonstrated anticancer activity. It is a research tool for studying celiac disease, where it blocks inflammation-induced TG2 expression and activation, as shown in both in vitro and in vivo models.
CAS Number
1542132-88-6
Product Name Alternative
TAK-227, TG2, ZED 1227, ZED-101, ZED1227, ZED-1227, Glutaminase
Field of Research
Protein Biochemistry
Purity
99.04% (May vary between batches)
Solubility
DMSO:100 mg/mL (189.18 mM)
Smiles
CCC (CC) CNC (=O) Cn1cccc (NC (=O) [C@H] (CC\C=C\C (=O) OC) NC (=O) c2cncn2C) c1=O
Molecular Formula
C26H36N6O6
Molecular Weight
528.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vilagletistat

ZED-1227 is under investigation in clinical trial NCT05305599 (Different Doses of ZED1227 vs. Placebo in NAFLD).

CAS Number1542132-88-6
PubChem CID72950407
IUPAC Namemethyl (E,6S)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate
Molecular FormulaC26H36N6O6
Molecular Weight528.6
XLogP1.6
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count38
Formal Charge0
Complexity958
SMILES
CCC(CC)CNC(=O)CN1C=CC=C(C1=O)NC(=O)[C@H](CC/C=C/C(=O)OC)NC(=O)C2=CN=CN2C
InChI
InChI=1S/C26H36N6O6/c1-5-18(6-2)14-28-22(33)16-32-13-9-11-20(26(32)37)30-24(35)19(10-7-8-12-23(34)38-4)29-25(36)21-15-27-17-31(21)3/h8-9,11-13,15,17-19H,5-7,10,14,16H2,1-4H3,(H,28,33)(H,29,36)(H,30,35)/b12-8+/t19-/m0/s1
InChIKey
VHGWUSABWIEXKQ-BEBFYNPSSA-N
Chemical Structure
2D Structure
2D structure of Vilagletistat
CAS: 1542132-88-6
CID: 72950407
Formula: C26H36N6O6
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass528.26963289
Monoisotopic Mass528.26963289
Topological Polar Surface Area152 Ų
Heavy Atom Count38
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS387087-01ZED-1227
A12242-100ZED-1227 100mg
A12242-25ZED-1227 25mg
A12242-5ZED-1227 5mg
A12242-1ZED-1227 1mg
A12242-10ZED-1227 10mg
A12242-50ZED-1227 50mg
MBS6000559-01tcag7.1227, ID (tcag7.1227)
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