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Chemical structure of HSD1590

GC60193

HSD1590

Also known as [2-methoxy-3-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenyl]boronic acid

HSD1590 is potent ROCK inhibitor, with IC50s of 1·22 and 0·51 nM for ROCK1 and ROCK2, respectively· HSD1590 exhibits single digit nanomolar binding to ROCK (Kds＜2 nM)· HSD1590 displays low cytotoxicity

ChemicalCAS2379279-96-4MW359.19FormulaC20H18BN3O3
CAS number
2379279-96-4
Molecular weight
359.19
Formula
C20H18BN3O3
Solubility
DMSO： 100 mg/mL (278·40 mM)
InChIKey
WTZMCUOBQPTERK-UHFFFAOYSA-N
Catalogue number
GC60193
Brand
GLPBIO
Computed properties PubChem CID 139030519 · TPSA 91.3 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
91.3 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27

SMILES B(C1=C(C(=CC=C1)C2=NC3=C(C4=C2CCC4)C5=C(C=C3)NN=C5)OC)(O)O

Computed descriptors from PubChem (CID 139030519), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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