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SDX-7539

CAT: 0931-T209478-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T209478-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1631953-52-0
Target
Aminopeptidase
Related Pathways
Metabolism
Bioactivity
SDX-7539 is a selective MetAP2 inhibitor that inhibits the proliferation of HUVEC, with an IC50 of 120 μM. It has demonstrated antitumor activity in xenografted NSCLC in athymic nude mice.
Smiles
C[C@@]1([C@@]2([C@@]3(CO3)CC[C@@H](OC(N[C@@H]4CC[C@@H](N)CC4)=O)[C@H]2OC)[H])[C@@H](CC=C(C)C)O1
Molecular Formula
C23H38N2O5
Molecular Weight
422.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(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] N-(4-aminocyclohexyl)carbamate
CAS Number1631953-52-0
PubChem CID129204131
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] N-(4-aminocyclohexyl)carbamate
Molecular FormulaC23H38N2O5
Molecular Weight422.6
XLogP2.5
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity673
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC4CCC(CC4)N)OC)C
InChI
InChI=1S/C23H38N2O5/c1-14(2)5-10-18-22(3,30-18)20-19(27-4)17(11-12-23(20)13-28-23)29-21(26)25-16-8-6-15(24)7-9-16/h5,15-20H,6-13,24H2,1-4H3,(H,25,26)/t15?,16?,17-,18-,19-,20-,22+,23+/m1/s1
InChIKey
NRQIOBIGZOJSBU-NCQCNRHSSA-N
Chemical Structure
2D Structure
2D structure of [(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] N-(4-aminocyclohexyl)carbamate
CAS: 1631953-52-0
CID: 129204131
Formula: C23H38N2O5
MW: 422.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass422.27807232
Monoisotopic Mass422.27807232
Topological Polar Surface Area98.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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