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FD-895

CAT: 0804-HY-114461Size: 1 EachDry Ice: NoHazardous: No
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Description
FD-895 is a spliceosome modulator derived from a polyketide natural product, targeting the SF3b subunit of the spliceosome. FD-895 possesses core biological activities for regulating RNA splicing (intron retention, alternative splicing) and inducing apoptosis of cancer cells. FD-895 can be used for the research of cancer, such as chronic lymphocytic leukemia (CLL) [1].
CAS Number
147025-57-8
UNSPSC
12352005
Target
Apoptosis; DNA/RNA Synthesis
Related Pathways
Apoptosis; Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
CC[C@H](OC)[C@H]([C@]1([H])[C@]([C@H](O)[C@H](C)/C=C/C=C([C@@H](O2)[C@H](/C=C/[C@@H]([C@](O)(CC[C@@H](O)CC2=O)C)OC(C)=O)C)\C)([H])O1)C
Molecular Formula
C31H50O9
Molecular Weight
566.72
References & Citations
[1]Dhar S, et al. A Carbohydrate-Derived Splice Modulator. J Am Chem Soc. 2016 Apr 20;138 (15) :5063-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

FD-895

FD-895 is a diterpene lactone.

CAS Number147025-57-8
PubChem CID9915974
IUPAC Name[(4E)-7,10-dihydroxy-2-[(2E,4E)-7-hydroxy-7-[3-(3-methoxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
Molecular FormulaC31H50O9
Molecular Weight566.7
XLogP3.8
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity928
SMILES
CCC(C(C)C1C(O1)C(C(C)/C=C/C=C(\C)/C2C(/C=C/C(C(CCC(CC(=O)O2)O)(C)O)OC(=O)C)C)O)OC
InChI
InChI=1S/C31H50O9/c1-9-24(37-8)21(5)29-30(40-29)27(35)18(2)11-10-12-19(3)28-20(4)13-14-25(38-22(6)32)31(7,36)16-15-23(33)17-26(34)39-28/h10-14,18,20-21,23-25,27-30,33,35-36H,9,15-17H2,1-8H3/b11-10+,14-13+,19-12+
InChIKey
LDCZLUDGHYDTHV-FPZDJJGISA-N
Chemical Structure
2D Structure
2D structure of FD-895
CAS: 147025-57-8
CID: 9915974
Formula: C31H50O9
MW: 566.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.7
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass566.34548317
Monoisotopic Mass566.34548317
Topological Polar Surface Area135 Ų
Heavy Atom Count40
Formal Charge0
Complexity928
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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