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138681-29-5

138681-29-5 Structure

138681-29-5 Structure
IdentificationBack Directory
[Name]

1-Piperazineacetamide, 2-(aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-, (2S)-
[CAS]

138681-29-5
[Synonyms]

1-Piperazineacetamide, 2-(aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-, (2S)-
[Molecular Formula]

C30H33Cl2F2N5O2
[MOL File]

138681-29-5.mol
[Molecular Weight]

604.52
Chemical PropertiesBack Directory
[Boiling point ]

755.9±60.0 °C(Predicted)
[density ]

1.338±0.06 g/cm3(Predicted)
[storage temp. ]

room temp
[solubility ]

DMSO: 2mg/mL, clear
[form ]

powder
[pka]

12.37±0.70(Predicted)
[color ]

white to beige
[Optical Rotation]

[α]/D -23 to -29°, c =0.5 in ethanol
Hazard InformationBack Directory
[Uses]

(S)-Draflazine ((-)-Draflazine) is the (S)-configuration of Draflazine (HY-106841). (S)-Draflazine is a potent blocker of nucleoside transport[1].
[Biological Activity]

Draflazine (R88021; (-)-R75231)is a potent nucleoside transporter ENT1 (SLC29A1) inhibitor with 370-fold selectivity over ENT2 (SLC29A2). R88021 exhibits 30- and 40-times higher affinity as (+)-R75231 (R88016) using calf lung membrane preparation (by [3H]R75231 & [3H]NBI displacement) and intact human erythrocytes (by [3H]NBMPR displacement)respectively. Draflazine is 20-times more potent as R88016 in enhancing adenosine potency against ADP-induced aggregation in human whole blood (IC50 = 0.5 μM vs 10 μM with 1 μM respective inhibitor)Draflazine and R75231but not R88016show cardioprotective efficacy against catecholamines infusion in rabbits in vivo.
[References]

[1] M. A. Bruce, et al. Kinetic Resolution of Piperazine-2-Carboxamide by Leucine Aminopeptidase. An Application in the Synthesis of the Nucleoside Transport Blocker (-) Draflazine. An International Journal for Rapid Communication of Synthetic Organic Chemistry Volume 25, 1995 - Issue 17
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