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HSD1590

CAT: 0931-T39944-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T39944-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2379279-96-4
Target
Others, ROCK
Related Pathways
Stem Cells, Others, Cell Cycle/Checkpoint, Cytoskeletal Signaling
Bioactivity
HSD1590 is a highly effective and potent inhibitor of ROCK1 and ROCK2, with IC50 values of 1.22 nM and 0.51 nM, respectively. It demonstrates exceptional binding affinity to ROCK, with Kd values below 2 nM. Moreover, HSD1590 showcases minimal cytotoxicity, making it an ideal compound for various applications.
Smiles
COc1c(cccc1-c1nc2ccc3[nH]ncc3c2c2CCCc12)B(O)O
Molecular Formula
C20H18BN3O3
Molecular Weight
359.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 139030519
CAS Number2379279-96-4
PubChem CID139030519
IUPAC Name[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
Molecular FormulaC20H18BN3O3
Molecular Weight359.2
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity539
SMILES
B(C1=C(C(=CC=C1)C2=NC3=C(C4=C2CCC4)C5=C(C=C3)NN=C5)OC)(O)O
InChI
InChI=1S/C20H18BN3O3/c1-27-20-13(6-3-7-15(20)21(25)26)19-12-5-2-4-11(12)18-14-10-22-24-16(14)8-9-17(18)23-19/h3,6-10,25-26H,2,4-5H2,1H3,(H,22,24)
InChIKey
WTZMCUOBQPTERK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 139030519
CAS: 2379279-96-4
CID: 139030519
Formula: C20H18BN3O3
MW: 359.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass359.1441216
Monoisotopic Mass359.1441216
Topological Polar Surface Area91.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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