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SPD-2

CAT: 0804-HY-123615Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-123615Size:1 Each
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Description
SPD-2 is a photo-controlled hydrogen sulfide (H2S) donor that can generate hydrogen sulfide (H2S) upon UVA irradiation (325-385 nm) . SPD-2 enables photo-controlled, site-specific H2S release in living cells[1].
CAS Number
1643781-40-1
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/spd-2.html
Smiles
O=C(C(C)(CSCC(C1=CC=C2OC3=C(C(C2=C1)=O)C=CC=C3)(C)C(O)=O)C4=CC=C5OC6=C(C(C5=C4)=O)C=CC=C6)O
Molecular Formula
C34H26O8S
Molecular Weight
594.63
References & Citations
[1]Fukushima N, et al. Development of photo-controllable hydrogen sulfide donor applicable in live cells. Bioorg Med Chem Lett. 2015 Jan 15;25 (2) :175-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-[2-Carboxy-2-(9-oxoxanthen-2-yl)propyl]sulfanyl-2-methyl-2-(9-oxoxanthen-2-yl)propanoic acid
CAS Number1643781-40-1
PubChem CID118721533
IUPAC Name3-[2-carboxy-2-(9-oxoxanthen-2-yl)propyl]sulfanyl-2-methyl-2-(9-oxoxanthen-2-yl)propanoic acid
Molecular FormulaC34H26O8S
Molecular Weight594.6
XLogP6.1
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1030
SMILES
CC(CSCC(C)(C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)C(=O)O)(C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O)C(=O)O
InChI
InChI=1S/C34H26O8S/c1-33(31(37)38,19-11-13-27-23(15-19)29(35)21-7-3-5-9-25(21)41-27)17-43-18-34(2,32(39)40)20-12-14-28-24(16-20)30(36)22-8-4-6-10-26(22)42-28/h3-16H,17-18H2,1-2H3,(H,37,38)(H,39,40)
InChIKey
HLYJZNLEINAZNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-Carboxy-2-(9-oxoxanthen-2-yl)propyl]sulfanyl-2-methyl-2-(9-oxoxanthen-2-yl)propanoic acid
CAS: 1643781-40-1
CID: 118721533
Formula: C34H26O8S
MW: 594.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.6
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass594.13483896
Monoisotopic Mass594.13483896
Topological Polar Surface Area153 Ų
Heavy Atom Count43
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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