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729607-74-3

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729607-74-3 Structure

729607-74-3 Structure
IdentificationBack Directory
[Name]

BMS707035
[CAS]

729607-74-3
[Synonyms]

CS-455
BMS707035
BMS707035 USP/EP/BP
BMS 707035;BMS707035
2-(1,1-DIOXOTHIAZINAN-2-YL)-N-[(4-FLUOROPHENYL)METHYL]-5-HYDROXY-1-METHYL-6-OXOPYRIMIDINE-4-CARBOXAMIDE
4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-(tetrahydro-1,1-dioxido-2H-1,2-thiazin
N-[(4-Fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)-4-pyrimidinecarboxamide
4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)-
[Molecular Formula]

C17H19FN4O5S
[MDL Number]

MFCD18074518
[MOL File]

729607-74-3.mol
[Molecular Weight]

410.42
Chemical PropertiesBack Directory
[density ]

1.54
[storage temp. ]

Store at -20°C
[solubility ]

insoluble in EtOH; insoluble in H2O; ≥41 mg/mL in DMSO
[form ]

Powder
[pka]

4.50±1.00(Predicted)
[color ]

Off-white to pink
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

BMS-707035 is a specific HIV-I integrase (IN) inhibitor.
[in vivo]

BMS-707035 has a low clearance effect in the rat, dog and monkey with moderate to long elimination half-lives in all species[1].
Pharmacokinetic Parameters of BMS-707035 in rat, dog and monkey (IV)[1].

RatMonkeyDog
IV dose (mg/kg)0.8711
CL (ml/min/kg) 9.76.82.0
T1/2(h)4.06.56.0
Vss(L/kg)0.860.870.45
PO dose (mg/kg)4.455.2
Cmax(μM)4.51 6.12 72.8
tmax(h)0.250.250.25
AUC (μM*h) 19.1 19.2162
F (%)8656129
[target]

HIV-I integrase
Spectrum DetailBack Directory
[Spectrum Detail]

BMS707035(729607-74-3)1HNMR
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