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NCX-278

CAT: 0013-GTR19208133-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208133-01Size:25 mg
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Description
NCX-278 is a dual-action small molecule combining ROCK inhibition with nitric oxide donation, developed for glaucoma research. It is utilized in studies investigating intraocular pressure reduction and neuroprotection, with applications in both in vitro assays and in vivo animal models of ocular hypertension.
CAS Number
1202697-61-7
Smiles
N (C (OCCCON (=O) =O) =O) (CC) [C@@H]1C2=C (SC (S (N) (=O) =O) =C2) S (=O) (=O) [C@@H] (C) C1
Molecular Formula
C14H21N3O9S3
Molecular Weight
471.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-nitrooxypropyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate
CAS Number1202697-61-7
PubChem CID45375968
IUPAC Name3-nitrooxypropyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate
Molecular FormulaC14H21N3O9S3
Molecular Weight471.5
XLogP1.4
Topological Polar Surface Area224
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity816
SMILES
CCN([C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C)C(=O)OCCCO[N+](=O)[O-]
InChI
InChI=1S/C14H21N3O9S3/c1-3-16(14(18)25-5-4-6-26-17(19)20)11-7-9(2)28(21,22)13-10(11)8-12(27-13)29(15,23)24/h8-9,11H,3-7H2,1-2H3,(H2,15,23,24)/t9-,11-/m0/s1
InChIKey
WMNLMYBKRKWSIH-ONGXEEELSA-N
Chemical Structure
2D Structure
2D structure of 3-nitrooxypropyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate
CAS: 1202697-61-7
CID: 45375968
Formula: C14H21N3O9S3
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass471.04399278
Monoisotopic Mass471.04399278
Topological Polar Surface Area224 Ų
Heavy Atom Count29
Formal Charge0
Complexity816
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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