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Sudemycin D6

CAT: 0013-GTR19274729-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274729-02Size:10 mg
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Description
Sudemycin D6 is a potent pre-mRNA splicing modulator with significant antitumor activity. It alters the splicing site utilization of DUSP11 and SRRM1 precursor mRNA. Sudemycin D6 reduces the survival rate and alters the cell cycle of hematopoietic cells expressing mutant U2AF1. It also diminishes mutant U2AF1-induced hematopoietic progenitor cell expansion in U2AF1 (S34F) transgenic mice. Sudemycin D6 is applicable in cancer research.
CAS Number
1510837-67-8
Smiles
C (=C/C (=C/C[C@H]1CC[C@@H] (NC (/C=C\[C@@H] (OC (NC) =O) C) =O) CC1) /C) \[C@@H]2C[C@]3 (CO3) CC (C) (C) O2
Molecular Formula
C27H42N2O5
Molecular Weight
474.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(Z,2S)-5-[[4-[(2E,4E)-5-[(3R,7S)-5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl]-3-methylpenta-2,4-dienyl]cyclohexyl]amino]-5-oxopent-3-en-2-yl] N-methylcarbamate
CAS Number1510837-67-8
PubChem CID74762666
IUPAC Name[(Z,2S)-5-[[4-[(2E,4E)-5-[(3R,7S)-5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl]-3-methylpenta-2,4-dienyl]cyclohexyl]amino]-5-oxopent-3-en-2-yl] N-methylcarbamate
Molecular FormulaC27H42N2O5
Molecular Weight474.6
XLogP4
Topological Polar Surface Area89.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity810
SMILES
C[C@@H](/C=C\C(=O)NC1CCC(CC1)C/C=C(\C)/C=C/[C@@H]2C[C@@]3(CC(O2)(C)C)CO3)OC(=O)NC
InChI
InChI=1S/C27H42N2O5/c1-19(7-14-23-16-27(18-32-27)17-26(3,4)34-23)6-9-21-10-12-22(13-11-21)29-24(30)15-8-20(2)33-25(31)28-5/h6-8,14-15,20-23H,9-13,16-18H2,1-5H3,(H,28,31)(H,29,30)/b14-7+,15-8-,19-6+/t20-,21?,22?,23+,27+/m0/s1
InChIKey
VTGAROJAXFMCLD-PSSNIGNMSA-N
Chemical Structure
2D Structure
2D structure of [(Z,2S)-5-[[4-[(2E,4E)-5-[(3R,7S)-5,5-dimethyl-1,6-dioxaspiro[2.5]octan-7-yl]-3-methylpenta-2,4-dienyl]cyclohexyl]amino]-5-oxopent-3-en-2-yl] N-methylcarbamate
CAS: 1510837-67-8
CID: 74762666
Formula: C27H42N2O5
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass474.30937244
Monoisotopic Mass474.30937244
Topological Polar Surface Area89.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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