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ChemicalBook--->CAS DataBase List--->906805-42-3

906805-42-3

906805-42-3 Structure

906805-42-3 Structure
IdentificationBack Directory
[Name]

Pyrazinecarboxamide, 3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]- (9CI)
[CAS]

906805-42-3
[Synonyms]

SCH 546738
SCH546738;SCH-546738
SCH 546738 (free base)
3-aMino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)Methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-
(S)-3-Amino-6-chloro-5-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)pyrazine-2-
(S)-3-Amino-6-chloro-5-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)pyrazine-2-car
3-Amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]pyrazinecarboxamide
2-Pyrazinecarboxamide, 3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-
Pyrazinecarboxamide, 3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]- (9CI)
[Molecular Formula]

C23H31Cl2N7O
[MDL Number]

MFCD11042275
[MOL File]

906805-42-3.mol
[Molecular Weight]

492.44
Chemical PropertiesBack Directory
[Boiling point ]

628.2±55.0 °C(Predicted)
[density ]

1.326±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 4.5 mg/mL (9.14 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
[form ]

Powder
[pka]

14.24±0.50(Predicted)
[color ]

White to light yellow
Safety DataBack Directory
[Symbol(GHS) ]


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]

3-Amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-2-pyrazinecarboxamide is a potent and non-competitive small molecule CXCR3 antagonist. It was reported that therapy with CXCR3 antagonists may serve as a new strategy for treatment of autoimmune diseases.
[in vivo]

SCH 546738 has strong cross-species activities with IC50 of 1.3 nM, 6.4 nM, 5.9 nM and 4.2 nM in inhibiting the binding of [125I]hCXCL10 to CXCR3 of monkey, dog, mouse and rat origin, respectively. SCH 546738 is a selective and potent CXCR3 antagonist with a good PK for in vivo studies[1].

[IC 50]

Human CXCR3: 0.4 nM (Ki)
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