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B I09

CAT: 0931-T14847-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T14847-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1607803-67-7
Target
IRE1
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9964
Bioactivity
B I09, an IRE-1 RNase inhibitor with an IC50 of 1230 nM, inhibits splicing of XBP1 mRNA in human WaC3 cells and expression of xbp-1 in LPS-stimulated B cells. B I09 can be used to simulate the defects of XBP-1 in CLL cells., an IRE-1 RNase inhibitor with an IC50 of 1230 nM, inhibits splicing of XBP1 mRNA in human WaC3 cells and expression of xbp-1 in LPS-stimulated B cells. B I09 can be used to simulate the defects of XBP-1 in CLL cells., an IRE-1 RNase inhibitor with an IC50 of 1230 nM, inhibits splicing of XBP1 mRNA in human WaC3 cells and expression of xbp-1 in LPS-stimulated B cells. B I09 can be used to simulate the defects of XBP-1 in CLL cells.
Smiles
Oc1ccc2c3CCNCc3c(=O)oc2c1C1OCCCO1
Molecular Formula
C16H17NO5
Molecular Weight
303.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-(1,3-Dioxan-2-yl)-1,2,3,4-tetrahydro-8-hydroxy-5H-[1]benzopyrano[3,4-c]pyridin-5-one
CAS Number1607803-67-7
PubChem CID86290458
IUPAC Name7-(1,3-dioxan-2-yl)-8-hydroxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
Molecular FormulaC16H17NO5
Molecular Weight303.31
XLogP0.3
Topological Polar Surface Area77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity485
SMILES
C1COC(OC1)C2=C(C=CC3=C2OC(=O)C4=C3CCNC4)O
InChI
InChI=1S/C16H17NO5/c18-12-3-2-10-9-4-5-17-8-11(9)15(19)22-14(10)13(12)16-20-6-1-7-21-16/h2-3,16-18H,1,4-8H2
InChIKey
UYYMWNUDIOPESF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(1,3-Dioxan-2-yl)-1,2,3,4-tetrahydro-8-hydroxy-5H-[1]benzopyrano[3,4-c]pyridin-5-one
CAS: 1607803-67-7
CID: 86290458
Formula: C16H17NO5
MW: 303.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.31
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass303.11067264
Monoisotopic Mass303.11067264
Topological Polar Surface Area77 Ų
Heavy Atom Count22
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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