ChemicalBook--->CAS DataBase List--->1191996-10-7

1191996-10-7

1191996-10-7 Structure

1191996-10-7 Structure
IdentificationBack Directory
[Name]

(S)-2-(4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(1-((S)-2,3-dihydroxypropyl)-1H-pyrazol-3-yl)-4-methylpentanamide
[CAS]

1191996-10-7
[Synonyms]

HM S5552
HM-S5552
Sinoliatin
Sinogliatin
Balixafortide
Sinogliatin (HMS5552, RO5305552)
HM-S5552; RO-5305552;HM S5552; RO 5305552
(S)-2-(4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(1-((S)-2,3-dihydroxypropyl)-1H-pyrazol-3-yl)-4-methylpentanamide
(2S)-2-[4-(2-chlorophenoxy)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-N-{1-[(2S)-2,3-dihydroxypropyl]-1H-pyrazol-3-yl}-4-methylpentanamide
1H-Pyrrole-1-acetamide, 4-(2-chlorophenoxy)-N-[1-[(2S)-2,3-dihydroxypropyl]-1H-pyrazol-3-yl]-2,5-dihydro-α-(2-methylpropyl)-2-oxo-, (αS)-
[Molecular Formula]

C22H27ClN4O5
[MOL File]

1191996-10-7.mol
[Molecular Weight]

462.93
Chemical PropertiesBack Directory
[Boiling point ]

761.7±60.0 °C(Predicted)
[density ]

1.38±0.1 g/cm3(Predicted)
[solubility ]

Acetonitrile: Slightly soluble: 0.1-1 mg/ml
DMSO: Slightly soluble: 0.1-1 mg/ml
[pka]

12.84±0.70(Predicted)
Hazard InformationBack Directory
[Uses]

(S,S)-Sinogliatin ((S,S)-HMS-5552) is the (S,S) -enantiomer of Sinogliatin. Sinogliatin is a glucokinase activator that can be used to study type 2 diabetes[1].
[References]

[1] Song L, et al. Development of a Physiologically Based Pharmacokinetic Model for Sinogliatin, a First-in-Class Glucokinase Activator, by Integrating Allometric Scaling, In Vitro to In Vivo Exploration and Steady-State Concentration-Mean Residence Time Methods: Mechanistic Understanding of its Pharmacokinetics. Clin Pharmacokinet. 2018 Oct;57(10):1307-1323. DOI:10.1007/s40262-018-0631-z
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