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Netarsudil Dihydrochloride

CAT: 0013-GTR19177588-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177588-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Netarsudil Dihydrochloride is a dual-action small molecule inhibitor targeting Rho kinase (ROCK) and the norepinephrine transporter (NET) . It is widely used in ophthalmic research, particularly in studies investigating intraocular pressure (IOP) reduction, with applications in both in vitro and in vivo models of glaucoma.
CAS Number
1253952-02-1
Product Name Alternative
ROCK, Netarsudil, Netarsudil Dihydrochloride, AR13324 Dihydrochloride, AR-13324 Dihydrochloride, AR13324, AR-13324, AR 13324, AR 13324 Dihydrochloride
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.92% (May vary between batches)
Solubility
DMSO:260 mg/mL (493.87 mM)
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.Cl.Cl
Molecular Formula
C28H29Cl2N3O3
Molecular Weight
526.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Netarsudil dihydrochloride
CAS Number1253952-02-1
PubChem CID66599892
IUPAC Name[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;dihydrochloride
Molecular FormulaC28H29Cl2N3O3
Molecular Weight526.4
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count36
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.Cl.Cl
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
InChIKey
LDKTYVXXYUJVJM-FBHGDYMESA-N
Chemical Structure
2D Structure
2D structure of Netarsudil dihydrochloride
CAS: 1253952-02-1
CID: 66599892
Formula: C28H29Cl2N3O3
MW: 526.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass525.1585972
Monoisotopic Mass525.1585972
Topological Polar Surface Area94.3 Ų
Heavy Atom Count36
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 Count3
Compound Is CanonicalizedYes

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