Products for Research Use Only

CW-069

CAT: 0013-GTR19172074-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172074-05Size:25 mg
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Description
CW-069 is a potent and selective allosteric inhibitor of the HSET (KIFC1) microtubule motor protein, with an IC50 of 75 μM. It demonstrates high specificity over the related kinesin KSP and is a valuable chemical probe for studying HSET function in cancer cell division and aneuploidy research in vitro.
CAS Number
1594094-64-0
Product Name Alternative
Inhibitor, HSET, inhibit, Kinesin, Microtubule Associated, MicrotubuleAssociated, CW-069, CW 069, CW069
Field of Research
Signal Transduction
Purity
97.52% (May vary between batches)
Solubility
Ethanol:4 mg/mL (7.99 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.6 mM) ; DMSO:93 mg/mL (185.88 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
OC (=O) c1cc (I) ccc1NC (=O) [C@H] (Cc1ccccc1) NCc1ccccc1
Molecular Formula
C23H21IN2O3
Molecular Weight
500.33
Storage Conditions
-20°C
Notes
For research use only.

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...
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