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CW069

CAT: 0013-GTR19159571-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19159571-01Size:1 g
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Description
CW069 is an allosteric inhibitor of HSET. CW069 showed marked activity against HSET in vitro. The inhibitor induced multipolar mitoses only in cells containing supernumerary centrosomes. CW069 therefore constitutes a valuable tool for probing HSET function and, by reducing the growth of cells containing supernumerary centrosomes, paves the way for new cancer therapeutics.
CAS Number
1594094-64-0
Product Name Alternative
CW069 | CW-069 | CW 069
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 52 mg/mL; 103.93 mM
Smiles
O=C (O) c1cc (I) ccc1NC (=O) [C@@H] (NCc1ccccc1) Cc1ccccc1
Molecular Formula
C23H21IN2O3
Molecular Weight
500.33
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
5-Iodo-2-[[ (2S) -1-oxo-3-phenyl-2-[ (phenylmethyl) amino]propyl]amino]-benzoic acid

Chemical Information

(S)-2-(2-(Benzylamino)-3-phenylpropanamido)-5-iodobenzoic acid
CAS Number1594094-64-0
PubChem CID73427517
IUPAC Name2-[[(2S)-2-(benzylamino)-3-phenylpropanoyl]amino]-5-iodobenzoic acid
Molecular FormulaC23H21IN2O3
Molecular Weight500.3
XLogP2.6
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity532
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=C(C=C(C=C2)I)C(=O)O)NCC3=CC=CC=C3
InChI
InChI=1S/C23H21IN2O3/c24-18-11-12-20(19(14-18)23(28)29)26-22(27)21(13-16-7-3-1-4-8-16)25-15-17-9-5-2-6-10-17/h1-12,14,21,25H,13,15H2,(H,26,27)(H,28,29)/t21-/m0/s1
InChIKey
IRDIXDXDSUBHIU-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(2-(Benzylamino)-3-phenylpropanamido)-5-iodobenzoic acid
CAS: 1594094-64-0
CID: 73427517
Formula: C23H21IN2O3
MW: 500.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.3
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass500.05969
Monoisotopic Mass500.05969
Topological Polar Surface Area78.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
9507-10CW069
A13735-10CW069 10mg
A13735-100CW069 100mg
A13735-25CW069 25mg
A13735-5CW069 5mg
A13735-1CW069 1mg
A13735-500CW069 500mg
A13735-50CW069 50mg
A13735-10mM-DCW069 10mM * 1mL in DMSO

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