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1057249-41-8

1057249-41-8 Structure

1057249-41-8 Structure
IdentificationBack Directory
[Name]

N-(3-Chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]urea
[CAS]

1057249-41-8
[Synonyms]

CS-901
SNS-314
SNS314;SNS 314
1-(3-chlorophenyl)-3-(4-(2-(thieno[3,2-d]pyriMidin-4-ylaMino)ethyl)thiazol-2-yl)urea
N-(3-Chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]urea
Urea, N-(3-chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]-
[Molecular Formula]

C18H15ClN6OS2
[MDL Number]

MFCD16619388
[MOL File]

1057249-41-8.mol
[Molecular Weight]

430.93
Chemical PropertiesBack Directory
[density ]

1.588
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 100 mg/mL (232.06 mM);Ethanol: Insoluble
[pka]

6.12±0.70(Predicted)
[Water Solubility ]

Water: Insoluble
[InChI]

InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
[InChIKey]

FAYAUAZLLLJJGH-UHFFFAOYSA-N
[SMILES]

N(C1=CC=CC(Cl)=C1)C(NC1=NC=C(CCNC2N=CN=C3C=CSC3=2)S1)=O
Hazard InformationBack Directory
[Uses]

SNS-314 is used in the synthesis of AuroraA kinase inhibitors used in cancer treatment.
[Definition]

ChEBI:1-(3-chlorophenyl)-3-[5-[2-(4-thieno[3,2-d]pyrimidinylamino)ethyl]-2-thiazolyl]urea is a member of ureas.
[in vivo]

In the HCT116 human colon cancer xenograft model, administration of 50 and 100 mg/kg SNS-314 leads to dose-dependent inhibition of histone H3 phosphorylation for at least 10 h. SNS-314 shows significant tumor growth inhibition in a dose dependent manner under a variety of dosing schedules including weekly, bi-weekly, and 5 days on/9 days off[2].

[IC 50]

Aurora A: 9 nM (IC50); Aurora B: 31 nM (IC50); Aurora C: 6 nM (IC50)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

N-(3-Chlorophenyl)-N'-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-2-thiazolyl]urea(1057249-41-8)1HNMR
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