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NO-prednisolone

CAT: 0013-GTR19202638-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202638-01Size:1 mg
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Description
NCX-1015 is a nitric oxide-releasing derivative of prednisolone designed for research. It has been shown to effectively induce IL-10 production in vivo, making it a useful tool for studying immunomodulation and inflammation in experimental models.
CAS Number
327610-87-7
Product Name Alternative
NCX 1015, NCX1015, NCX-1015, NO-prednisolone, Interleukin Related, ILReceptor, IL-10, IL Receptor
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
98.21% (May vary between batches)
Solubility
DMSO:40 mg/mL (74.13 mM)
Smiles
[H][C@@]12CC[C@] (O) (C (=O) COC (=O) c3ccc (CO[N+] ([O-]) =O) cc3) [C@@]1 (C) C[C@H] (O) [C@@]1 ([H]) [C@@]2 ([H]) CCC2=CC (=O) C=C[C@]12C
Molecular Formula
C29H33NO9
Molecular Weight
539.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NO-prednisolone
CAS Number327610-87-7
PubChem CID9850209
IUPAC Name[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-(nitrooxymethyl)benzoate
Molecular FormulaC29H33NO9
Molecular Weight539.6
XLogP4.1
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity1100
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4=CC=C(C=C4)CO[N+](=O)[O-])O)CCC5=CC(=O)C=C[C@]35C)O
InChI
InChI=1S/C29H33NO9/c1-27-11-9-20(31)13-19(27)7-8-21-22-10-12-29(35,28(22,2)14-23(32)25(21)27)24(33)16-38-26(34)18-5-3-17(4-6-18)15-39-30(36)37/h3-6,9,11,13,21-23,25,32,35H,7-8,10,12,14-16H2,1-2H3/t21-,22-,23-,25+,27-,28-,29-/m0/s1
InChIKey
MJHYBJOMJPGNMM-KGWLDMEJSA-N
Chemical Structure
2D Structure
2D structure of NO-prednisolone
CAS: 327610-87-7
CID: 9850209
Formula: C29H33NO9
MW: 539.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass539.21553163
Monoisotopic Mass539.21553163
Topological Polar Surface Area156 Ų
Heavy Atom Count39
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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