Products for Research Use Only

ZM223

CAT: 0013-GTR19204537-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204537-02Size:2 mg
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Description
ZM223 is a potent and selective small molecule inhibitor of the NEDD8-activating enzyme (NAE) . It is a valuable research tool for studying neddylation pathways in cancer biology and has demonstrated activity in both cellular and in vivo models of malignancy.
CAS Number
2031177-48-5
Product Name Alternative
E1 Enzyme, E1Enzyme, E3Enzyme, E2Enzyme, E3 Enzyme, E2 Enzyme, NAE, NEDD8 activating enzyme (NAE), ZM223, ZM-223, ZM 223
Field of Research
Metabolism Research, Protein Biochemistry
Purity
99.67% (May vary between batches)
Solubility
DMSO:80 mg/mL (159.19 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.57 mM)
Smiles
N (C (=O) C1=CC=C (C (F) (F) F) C=C1) C2=NC=3C (S2) =CC (NC (CSC4=CC=C (N) C=C4) =O) =CC3
Molecular Formula
C23H17F3N4O2S2
Molecular Weight
502.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[6-[[2-(4-Aminophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]-4-(trifluoromethyl)benzamide
CAS Number2031177-48-5
PubChem CID137628630
IUPAC NameN-[6-[[2-(4-aminophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]-4-(trifluoromethyl)benzamide
Molecular FormulaC23H17F3N4O2S2
Molecular Weight502.5
XLogP5.2
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity713
SMILES
C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)N)C(F)(F)F
InChI
InChI=1S/C23H17F3N4O2S2/c24-23(25,26)14-3-1-13(2-4-14)21(32)30-22-29-18-10-7-16(11-19(18)34-22)28-20(31)12-33-17-8-5-15(27)6-9-17/h1-11H,12,27H2,(H,28,31)(H,29,30,32)
InChIKey
XPPKZMFJCSEUSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[6-[[2-(4-Aminophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]-4-(trifluoromethyl)benzamide
CAS: 2031177-48-5
CID: 137628630
Formula: C23H17F3N4O2S2
MW: 502.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight502.5
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass502.07450263
Monoisotopic Mass502.07450263
Topological Polar Surface Area151 Ų
Heavy Atom Count34
Formal Charge0
Complexity713
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