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SpiD3

CAT: 0804-HY-163607-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-163607-02Size:10 mg
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Description
SpiD3, a spirocyclic dimer, is an anticancer agent. SpiD3 markedly inhibits malignant B-cell proliferation and suppressed NF-κB activation independent of TME-associated stimuli. SpiD3 induces apoptosis and inhibits protein synthesis in chronic lymphocytic leukemia cells. SpiD3 can be used for study of chronic lymphocytic leukemia (CLL) [1].
CAS Number
3033533-25-1
UNSPSC
12352005
Target
Apoptosis; NF-κB
Type
Reference compound
Related Pathways
Apoptosis; NF-κB
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/spid3.html
Purity
98.24
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1OC2(CC1=C)C(N(CCCN3C(C4(C5=C3C=CC=C5)OC(C(C4)=C)=O)=O)C6=C2C=CC=C6)=O
Molecular Formula
C27H22N2O6
Molecular Weight
470.47
References & Citations
[1]Eiken AP, et al. Novel Spirocyclic Dimer, SpiD3, Targets Chronic Lymphocytic Leukemia Survival Pathways with Potent Preclinical Effects. Cancer Res Commun. 2024;4 (5) :1328-1343.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3'-Methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CAS Number3033533-25-1
PubChem CID135172899
IUPAC Name3'-methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione
Molecular FormulaC27H22N2O6
Molecular Weight470.5
XLogP3
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity957
SMILES
C=C1CC2(C3=CC=CC=C3N(C2=O)CCCN4C5=CC=CC=C5C6(C4=O)CC(=C)C(=O)O6)OC1=O
InChI
InChI=1S/C27H22N2O6/c1-16-14-26(34-22(16)30)18-8-3-5-10-20(18)28(24(26)32)12-7-13-29-21-11-6-4-9-19(21)27(25(29)33)15-17(2)23(31)35-27/h3-6,8-11H,1-2,7,12-15H2
InChIKey
MAJYGNYMOANPNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Methylidene-1-[3-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)propyl]spiro[indole-3,5'-oxolane]-2,2'-dione
CAS: 3033533-25-1
CID: 135172899
Formula: C27H22N2O6
MW: 470.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass470.14778643
Monoisotopic Mass470.14778643
Topological Polar Surface Area93.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity957
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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