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DMNPE

CAT: 0013-GTR19224382-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224382-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMNPE-caged D-luciferin is a photo- and esterase-activatable probe that forms stable DNA complexes to cage biological activity. Its controlled release of D-luciferin enables real-time monitoring of gene expression dynamics in both live-cell (in vitro) and whole-organism (in vivo) bioluminescence imaging studies.
CAS Number
223920-67-0
Smiles
[O-][N+] (c1cc (OC) c (OC) cc1C (OC ([C@H]2CSC (c (n3) sc4c3ccc (O) c4) =N2) =O) C) =O
Molecular Formula
C21H19N3O7S2
Molecular Weight
489.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester
CAS Number223920-67-0
PubChem CID2762658
IUPAC Name1-(4,5-dimethoxy-2-nitrophenyl)ethyl (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
Molecular FormulaC21H19N3O7S2
Molecular Weight489.5
XLogP4.2
Topological Polar Surface Area190
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity767
SMILES
CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OC(=O)[C@H]2CSC(=N2)C3=NC4=C(S3)C=C(C=C4)O
InChI
InChI=1S/C21H19N3O7S2/c1-10(12-7-16(29-2)17(30-3)8-15(12)24(27)28)31-21(26)14-9-32-19(23-14)20-22-13-5-4-11(25)6-18(13)33-20/h4-8,10,14,25H,9H2,1-3H3/t10?,14-/m1/s1
InChIKey
VGEMOUFKGRGCNZ-LNUXAPHWSA-N
Chemical Structure
2D Structure
2D structure of D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester
CAS: 223920-67-0
CID: 2762658
Formula: C21H19N3O7S2
MW: 489.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass489.06644230
Monoisotopic Mass489.06644230
Topological Polar Surface Area190 Ų
Heavy Atom Count33
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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