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CKD-731

CAT: 0013-GTR19274246-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274246-02Size:50 mg
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Description
CKD-731 is an analogue of Fumagillin. It inhibits the proliferation of bovine pulmonary artery endothelial cells, lymphoma EL-4 cells, and mouse leukemia P388D1 cells. CKD-731 functions by inhibiting MetAP-2 activity and blocking angiogenesis. It is applicable in studies related to angiogenesis-associated cancers.
CAS Number
251111-15-6
Smiles
C[C@@]1 ([C@@]2 ([C@@]3 (CO3) CC[C@@H] (OC (/C=C/C4=CC (OC) =C (OC) C (OC) =C4) =O) [C@H]2OC) [H]) [C@@H] (CC=C (C) C) O1
Molecular Formula
C28H38O8
Molecular Weight
502.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ckd-731

structure in first source

CAS Number251111-15-6
PubChem CID9935823
IUPAC Name[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Molecular FormulaC28H38O8
Molecular Weight502.6
XLogP4.3
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity823
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)OC)C
InChI
InChI=1S/C28H38O8/c1-17(2)8-10-22-27(3,36-22)26-25(33-7)19(12-13-28(26)16-34-28)35-23(29)11-9-18-14-20(30-4)24(32-6)21(15-18)31-5/h8-9,11,14-15,19,22,25-26H,10,12-13,16H2,1-7H3/b11-9+/t19-,22-,25-,26-,27+,28+/m1/s1
InChIKey
YALIVVKJRYVKNB-GGHPKCFRSA-N
Chemical Structure
2D Structure
2D structure of Ckd-731
CAS: 251111-15-6
CID: 9935823
Formula: C28H38O8
MW: 502.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.6
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass502.25666817
Monoisotopic Mass502.25666817
Topological Polar Surface Area88.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity823
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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