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Azadirone

CAT: 0931-T26709-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26709-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30002-86-9
Target
TNF, Bcl-2 Family, Parasite, Others
Related Pathways
Apoptosis, Microbiology/Virology, Others
Bioactivity
Azadirone is a limonoid tetranortriterpene. Azadirone can sensitize cancer cells to tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) through ROS-ERK-CHOP-mediated up-regulation of DR4 and DR5 signaling, down-regulation of cell survival proteins, and up-regulation of proapoptotic proteins.
Smiles
[H][C@@]12CO[C@@H](CN(N=O)C(N)=O)[C@]1([H])OC(C)(C)O2
Molecular Formula
C9H15N3O5
Molecular Weight
245.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 92244938
CAS Number30002-86-9
PubChem CID92244938
IUPAC Name1-[[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl]-1-nitrosourea
Molecular FormulaC9H15N3O5
Molecular Weight245.23
XLogP-0.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity335
SMILES
CC1(O[C@@H]2CO[C@H]([C@@H]2O1)CN(C(=O)N)N=O)C
InChI
InChI=1S/C9H15N3O5/c1-9(2)16-6-4-15-5(7(6)17-9)3-12(11-14)8(10)13/h5-7H,3-4H2,1-2H3,(H2,10,13)/t5-,6+,7-/m0/s1
InChIKey
VAOQQYFQXZJKNI-XVMARJQXSA-N
Chemical Structure
2D Structure
2D structure of CID 92244938
CAS: 30002-86-9
CID: 92244938
Formula: C9H15N3O5
MW: 245.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.23
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass245.10117059
Monoisotopic Mass245.10117059
Topological Polar Surface Area103 Ų
Heavy Atom Count17
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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