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2231770-73-1

2231770-73-1 Structure

2231770-73-1 Structure
IdentificationBack Directory
[Name]

SHR1653
[CAS]

2231770-73-1
[Synonyms]

SHR1653
SHR1653,SHR-1653
3-Azabicyclo[3.1.0]hexane, 1-(2-chloro-4-fluorophenyl)-3-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-4H-1,2,4-triazol-3-yl]-, (1S,5R)-
[Molecular Formula]

C21H21ClFN5O2
[MDL Number]

MFCD32174297
[MOL File]

2231770-73-1.mol
[Molecular Weight]

429.88
Chemical PropertiesBack Directory
[Boiling point ]

577.3±60.0 °C(Predicted)
[density ]

1.47±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

4.29±0.10(Predicted)
[color ]

Light yellow to yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

SHR1653 is a highly potent, selective and brain penetrated oxytocin receptor (OTR) antagonist, with an IC50 of 15 nM for hOTR[1].
[storage]

Store at -20°C
[References]

[1] Li X, et al. Discovery of SHR1653, a Highly Potent and Selective OTR Antagonist with Improved Blood-Brain Barrier Penetration. ACS Med Chem Lett. 2019 May 29;10(6):996-1001. DOI:10.1021/acsmedchemlett.9b00186
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