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FR 111142

CAT: 0013-GTR19208424-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208424-02Size:50 mg
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Description
FR 111142 is a small molecule angiogenesis inhibitor isolated from the fungus Scolecobasidium arenarium. It is used in research to study pathological angiogenesis and has demonstrated inhibitory activity in both in vitro endothelial cell assays and in vivo models.
CAS Number
132340-44-4
Smiles
CC1 (C2C3 (CO3) CCC (OC (C=CC (C (C) O) O) =O) C2OC) C (CC=C (C) C) O1
Molecular Formula
C22H34O7
Molecular Weight
410.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FR 111142

FR-111142 is a fatty acid ester.

CAS Number132340-44-4
PubChem CID9909502
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)-4,5-dihydroxyhex-2-enoate
Molecular FormulaC22H34O7
Molecular Weight410.5
XLogP1.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity670
SMILES
CC(C(/C=C/C(=O)O[C@@H]1CC[C@]2(CO2)[C@H]([C@@H]1OC)[C@@]3([C@H](O3)CC=C(C)C)C)O)O
InChI
InChI=1S/C22H34O7/c1-13(2)6-8-17-21(4,29-17)20-19(26-5)16(10-11-22(20)12-27-22)28-18(25)9-7-15(24)14(3)23/h6-7,9,14-17,19-20,23-24H,8,10-12H2,1-5H3/b9-7+/t14?,15?,16-,17-,19-,20-,21+,22+/m1/s1
InChIKey
PBVLBMJXKARLBU-VWNABXHMSA-N
Chemical Structure
2D Structure
2D structure of FR 111142
CAS: 132340-44-4
CID: 9909502
Formula: C22H34O7
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass410.23045342
Monoisotopic Mass410.23045342
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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