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DM-Nitrophen (tertasodium)

CAT: 0804-HY-126789ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126789ASize:5 mg
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Description
DM-Nitrophen tertasodium is a Ca2+ cage. DM-Nitrophen releases Ca2+ when cleaved upon illumination with near-ultraviolet light[1]. DM-Nitrophen tertasodium can be used for study of Ca2+ signaling[1].
CAS Number
291517-40-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dm-nitrophen-tertasodium.html
Purity
90.0
Solubility
10 mM in DMSO
Smiles
O=C(CN(CC(N(CC(O[Na])=O)CC(O[Na])=O)C1=CC(OC)=C(C=C1[N+]([O-])=O)OC)CC(O[Na])=O)O[Na]
Molecular Formula
C18H19N3Na4O12
Molecular Weight
561.32
Precautions
H302, H315, H319
References & Citations
[1]Ellis-Davies GC, et, al. Laser photolysis of caged calcium: rates of calcium release by nitrophenyl-EGTA and DM-nitrophen. Biophys J. 1996 Feb;70 (2) :1006-16.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]-2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-(carboxylatomethyl)amino]acetate
CAS Number291517-40-3
PubChem CID6093156
IUPAC Nametetrasodium;2-[[2-[bis(carboxylatomethyl)amino]-2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-(carboxylatomethyl)amino]acetate
Molecular FormulaC18H19N3Na4O12
Molecular Weight561.3
Topological Polar Surface Area231
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity673
SMILES
COC1=C(C=C(C(=C1)C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])[N+](=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C18H23N3O12.4Na/c1-32-13-3-10(11(21(30)31)4-14(13)33-2)12(20(8-17(26)27)9-18(28)29)5-19(6-15(22)23)7-16(24)25;;;;/h3-4,12H,5-9H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29);;;;/q;4*+1/p-4
InChIKey
KCTLZBKLHCBAMY-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]-2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-(carboxylatomethyl)amino]acetate
CAS: 291517-40-3
CID: 6093156
Formula: C18H19N3Na4O12
MW: 561.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass561.05595018
Monoisotopic Mass561.05595018
Topological Polar Surface Area231 Ų
Heavy Atom Count37
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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