Netarsudil dihydrochlorideProduct ingredient for Netarsudil
- Name
- Netarsudil dihydrochloride
- Drug Entry
- Netarsudil
A Rho kinase inhibitor with norepinephrine transport inhibitory activity that reduces production of aqueous
As of December 18, 2017 the FDA approved Aerie Pharmaceutical's Rhopressa (netarsudil ophthalmic solution) 0.02% for the indication of reducing elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension. Acting as both a rho kinase inhibitor and a norepinephrine transport inhibitor, Netarsudil is a novel glaucoma medication in that it specifically targets the conventional trabecular pathway of aqueous humour outflow to act as an inhibitor to the rho kinase and norepinephrine transporters found there as opposed to affecting protaglandin F2-alpha analog like mechanisms in the unconventional uveoscleral pathway that many other glaucoma medications demonstrate.
- Accession Number
- DBSALT002598
- Structure
- Synonyms
- Not Available
- UNII
- SE030PF6VE
- CAS Number
- 1253952-02-1
- Weight
- Average: 526.46
Monoisotopic: 525.1585972 - Chemical Formula
- C28H29Cl2N3O3
- InChI Key
- LDKTYVXXYUJVJM-FBHGDYMESA-N
- InChI
- InChI=1S/C28H27N3O3.2ClH/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;;/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H/t26-;;/m1../s1
- IUPAC Name
- {4-[(1S)-2-amino-1-[(isoquinolin-6-yl)carbamoyl]ethyl]phenyl}methyl 2,4-dimethylbenzoate dihydrochloride
- SMILES
- Cl.Cl.[H][C@](CN)(C(=O)NC1=CC2=CC=NC=C2C=C1)C1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1
- External Links
- ChemSpider
- 44208835
- Predicted Properties
Property Value Source Water Solubility 0.000277 mg/mL ALOGPS logP 3.77 ALOGPS logP 4.73 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) 13.49 Chemaxon pKa (Strongest Basic) 8.69 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 94.31 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 134.66 m3·mol-1 Chemaxon Polarizability 50.74 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon