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NCX-274

CAT: 0013-GTR19208132-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208132-02Size:50 mg
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Description
NCX-274 is a dual-acting small molecule combining ROCK inhibition with nitric oxide donation, developed for glaucoma research. It is utilized in studies investigating intraocular pressure reduction and trabecular meshwork function, both in vitro and in animal models of ocular hypertension.
CAS Number
1202697-59-3
Smiles
N (C (CCCCCON (=O) =O) =O) (CC) [C@@H]1C2=C (SC (S (N) (=O) =O) =C2) S (=O) (=O) [C@@H] (C) C1
Molecular Formula
C16H25N3O8S3
Molecular Weight
483.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[6-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-6-oxohexyl] nitrate
CAS Number1202697-59-3
PubChem CID45375967
IUPAC Name[6-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-6-oxohexyl] nitrate
Molecular FormulaC16H25N3O8S3
Molecular Weight483.6
XLogP1.6
Topological Polar Surface Area215
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity831
SMILES
CCN([C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C)C(=O)CCCCCO[N+](=O)[O-]
InChI
InChI=1S/C16H25N3O8S3/c1-3-18(14(20)7-5-4-6-8-27-19(21)22)13-9-11(2)29(23,24)16-12(13)10-15(28-16)30(17,25)26/h10-11,13H,3-9H2,1-2H3,(H2,17,25,26)/t11-,13-/m0/s1
InChIKey
NURFQAXKIXSLRE-AAEUAGOBSA-N
Chemical Structure
2D Structure
2D structure of [6-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-6-oxohexyl] nitrate
CAS: 1202697-59-3
CID: 45375967
Formula: C16H25N3O8S3
MW: 483.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.6
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass483.08037828
Monoisotopic Mass483.08037828
Topological Polar Surface Area215 Ų
Heavy Atom Count30
Formal Charge0
Complexity831
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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