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Netarsudil

CAT: 1596-AR-N08088-03Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08088-03Size:25 Units
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CAS Number
1254032-66-0
Synonyms
[4-[ (1S) -1- (Aminomethyl) -2- (6-isoquinolinylamino) -2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate
Molecular Formula
C28H27N3O3
Molecular Weight
453.53
API Name
Netarsudil

Chemical Information

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.

CAS Number1254032-66-0
PubChem CID66599893
IUPAC Name[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate
Molecular FormulaC28H27N3O3
Molecular Weight453.5
XLogP4.6
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity678
SMILES
CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C
InChI
InChI=1S/C28H27N3O3/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)/t26-/m1/s1
InChIKey
OURRXQUGYQRVML-AREMUKBSSA-N
Chemical Structure
2D Structure
2D structure of Netarsudil
CAS: 1254032-66-0
CID: 66599893
Formula: C28H27N3O3
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass453.20524173
Monoisotopic Mass453.20524173
Topological Polar Surface Area94.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-12798-01Netarsudil
MBS5752711Netarsudil mesylate
M11023-01Netarsudil dihydrochloride
581020Netarsudil HCl
HY-12798A-01Netarsudil (dimesylate)
HY-12798B-01Netarsudil (hydrochloride)
CS-EO-02555Netarsudil-d6
MBS5752709Netarsudil hydrochloride
TRC-N849550-1GNetarsudil Impurity 2
RM-N052804-01Netarsudil Impurity 4

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