ChemicalBook--->CAS DataBase List--->1594094-64-0

1594094-64-0

1594094-64-0 Structure

1594094-64-0 Structure
IdentificationBack Directory
[Name]

CW069
[CAS]

1594094-64-0
[Synonyms]

CW069
CS-1425
CW069; CW 069
CW069 USP/EP/BP
(S)-2-(2-(BENZYLAMINO)-3-PHENYLPROPANAMIDO)-5-IODOBENZOIC ACID
2-[(2S)-2-(Benzylamino)-3-phenylpropanamido]-5-iodobenzoic acid
5-Iodo-2-[[(2S)-1-oxo-3-phenyl-2-[(phenylmethyl)amino]propyl]amino]benzoic acid
Benzoic acid, 5-iodo-2-[[(2S)-1-oxo-3-phenyl-2-[(phenylmethyl)amino]propyl]amino]-
[Molecular Formula]

C23H21IN2O3
[MDL Number]

MFCD28009372
[MOL File]

1594094-64-0.mol
[Molecular Weight]

500.33
Chemical PropertiesBack Directory
[Boiling point ]

666.0±55.0 °C(Predicted)
[density ]

1.559±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[solubility ]

≥50 mg/mL in DMSO; insoluble in H2O; ≥51.6 mg/mL in EtOH
[form ]

solid
[pka]

2.69±0.10(Predicted)
[color ]

White to off-white
[InChIKey]

IRDIXDXDSUBHIU-NRFANRHFSA-N
[SMILES]

C(O)(=O)C1=CC(I)=CC=C1NC(=O)[C@@H](NCC1=CC=CC=C1)CC1=CC=CC=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

CW069 is an allosteric inhibitor of KIFC/HSET (IC50 = 75 μM), a microtubule motor protein involved in bipolar spindle assembly and centrosome clustering. It increases the number of multipolar spindles in N1E-115 mouse neuroblastoma cells with supernumerary centrosomes when used at concentrations of 100 and 200 μM, without affecting the morphology of mitotic spindles in normal human dermal fibroblast (NHDF) cells. CW069 inhibits proliferation of N1E-115, but not NHDF, cells (IC50s = 86 and 181 μM, respectively).
[Uses]

CW 069 is an allosteric inhibitor of the microtubule motor protein HSET which induces multipolar mitoses only in cells containg supernumerary centrosomes.
[IC 50]

HSET: 75 μM (IC50)
[References]

[1]. watts ca, richards fm, bender a, et al. design, synthesis, and biological evaluation of an allosteric inhibitor of hset that targets cancer cells with supernumerary centrosomes. chem biol, 2013, 20(11): 1399-1410.
Spectrum DetailBack Directory
[Spectrum Detail]

CW069(1594094-64-0)1HNMR
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