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Sovesudil

CAT: 0931-T62036-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62036-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1333400-14-8
Target
ROCK, Others
Related Pathways
Cell Cycle/Checkpoint, Cytoskeletal Signaling, Stem Cells, Others
Bioactivity
Sovesudil (PHP-201) is a potent, ATP-competitive, locally acting Rho kinase (ROCK) inhibitor, showing IC50 values of 3.7 nM for ROCK-I and 2.3 nM for ROCK-II, and capable of lowering intraocular pressure (IOP) without inducing hyperemia.
Smiles
CCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Molecular Formula
C23H22FN3O3
Molecular Weight
407.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sovesudil

a novel rho-associated protein kinase (ROCK) inhibitor

CAS Number1333400-14-8
PubChem CID68245749
IUPAC Namepropyl 3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoate
Molecular FormulaC23H22FN3O3
Molecular Weight407.4
XLogP3
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity576
SMILES
CCCOC(=O)C1=CC=CC(=C1)C2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3)F)CN
InChI
InChI=1S/C23H22FN3O3/c1-2-10-30-23(29)17-5-3-4-15(11-17)19-12-16(6-7-18(19)13-25)22(28)27-21-8-9-26-14-20(21)24/h3-9,11-12,14H,2,10,13,25H2,1H3,(H,26,27,28)
InChIKey
PNWBYIFLWUCWKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sovesudil
CAS: 1333400-14-8
CID: 68245749
Formula: C23H22FN3O3
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass407.16451973
Monoisotopic Mass407.16451973
Topological Polar Surface Area94.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity576
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

Alternative Products

CatalogName
BA4489-10Sovesudil
HY-109191A-01Sovesudil (hydrochloride)
MBS5805290Sovesudil hydrochloride

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