SHR1653

Name: SHR1653
CAS#: 2231770-73-1
Chemical Formula: C21H21ClFN5O2
Exact Mass: 429.1368
Molecular Weight: 429.8804
Elemental Analysis: C, 58.67; H, 4.92; Cl, 8.25; F, 4.42; N, 16.29; O, 7.44

Description: SHR1653 is a Highly Potent and Selective OTR Antagonist with Improved Blood−Brain Barrier Penetration (IC50 = 15nM). SHR1653 exhibited excellent selectivity over V1AR, V1BR, and V2R. SHR1653 showed a favorable pharmacokinetic profile across species, as well as robust in vivo efficacy in a rat uterine contraction model. Interestingly, SHR1653 exhibited excellent blood−brain barrier penetration, which might be beneficial for the treatment of CNS-related PE.

IUPAC/Chemical Name: (1S,5R)-1-(2-chloro-4-fluorophenyl)-3-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexane

InChi Key: UYKVJQCPBDDIFD-ZSEKCTLFSA-N

InChi Code: InChI=1S/C21H21ClFN5O2/c1-29-11-18-25-26-20(28(18)15-4-6-19(30-2)24-9-15)27-10-13-8-21(13,12-27)16-5-3-14(23)7-17(16)22/h3-7,9,13H,8,10-12H2,1-2H3/t13-,21-/m0/s1

SMILES Code: [H][C@]([C@@]1(C2=CC=C(C=C2Cl)F)C3)(C1)CN3C4=NN=C(N4C5=CC=C(N=C5)OC)COC

Appearance: Solid powder