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Sovesudil (hydrochloride)

CAT: 0804-HY-109191A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109191A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sovesudil (PHP-201) hydrochloride is a potent, ATP-competitive, locally acting Rho kinase (ROCK) inhibitor with IC50s of 3.7 and 2.3 nM for ROCK-I and ROCK-II, respectively. Sovesudil hydrochloride lowers intraocular pressure (IOP) without inducing hyperemia[1][2].
CAS Number
2984963-50-8
Product Name Alternative
PHP-201 (hydrochloride) ; AMA0076 (hydrochloride)
UNSPSC
12352005
Target
ROCK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton; Stem Cell/Wnt; TGF-beta/Smad
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/sovesudil-hydrochloride.html
Purity
99.45
Solubility
DMSO : 62.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CC(C2=CC(C(NC3=C(F)C=NC=C3)=O)=CC=C2CN)=CC=C1)OCCC.[H]Cl
Molecular Formula
C23H23ClFN3O3
Molecular Weight
443.90
References & Citations
[1]Van de Velde S, et al. AMA0076, a novel, locally acting Rho kinase inhibitor, potently lowers intraocular pressure in New Zealand white rabbits with minimal hyperemia. Invest Ophthalmol Vis Sci. 2014;55 (2) :1006-1016. Published 2014 Feb 18. |[2]Ha A, et al. Sovesudil (locally acting rho kinase inhibitor) for the treatment of normal-tension glaucoma: the randomized phase II study [published online ahead of print, 2021 Jul 28]. Acta Ophthalmol. 2021;10.1111/aos.14949.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
ROCK1; ROCK2

Chemical Information

Sovesudil (hydrochloride)
CAS Number2984963-50-8
PubChem CID162640486
IUPAC Namepropyl 3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoate;hydrochloride
Molecular FormulaC23H23ClFN3O3
Molecular Weight443.9
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity576
SMILES
CCCOC(=O)C1=CC=CC(=C1)C2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3)F)CN.Cl
InChI
InChI=1S/C23H22FN3O3.ClH/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);1H
InChIKey
XHOTYNSTYWPINR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sovesudil (hydrochloride)
CAS: 2984963-50-8
CID: 162640486
Formula: C23H23ClFN3O3
MW: 443.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass443.1411975
Monoisotopic Mass443.1411975
Topological Polar Surface Area94.3 Ų
Heavy Atom Count31
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 Count2
Compound Is CanonicalizedYes

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