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AS115

CAT: 0931-T85733-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T85733-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
926657-43-4
Target
Others
Related Pathways
Others
Bioactivity
AS115, a potent and selective KIAA1363 inactivator, exhibits an IC50 of 150 nM. It targets KIAA1363, a 2-acetyl monoacylglycerol ether (MAGE) hydrolase, which is notably upregulated in aggressive cancers across diverse tissues [1] [2].
Smiles
C(OCCNC(OC1=C(F)C=CC=C1)=O)[C@H]2[C@@H](COCCCC)CCCC2
Molecular Formula
C21H32FNO4
Molecular Weight
381.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Fluorophenyl-(2-(((1R,2S)-2-(butoxymethyl)cyclohexyl)methoxy)ethyl)carbamate
CAS Number926657-43-4
PubChem CID52204060
IUPAC Name(2-fluorophenyl) N-[2-[[(1R,2S)-2-(butoxymethyl)cyclohexyl]methoxy]ethyl]carbamate
Molecular FormulaC21H32FNO4
Molecular Weight381.5
XLogP4.6
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count27
Formal Charge0
Complexity410
SMILES
CCCCOC[C@H]1CCCC[C@H]1COCCNC(=O)OC2=CC=CC=C2F
InChI
InChI=1S/C21H32FNO4/c1-2-3-13-25-15-17-8-4-5-9-18(17)16-26-14-12-23-21(24)27-20-11-7-6-10-19(20)22/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,23,24)/t17-,18+/m1/s1
InChIKey
BTYYXSHZANWPEB-MSOLQXFVSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluorophenyl-(2-(((1R,2S)-2-(butoxymethyl)cyclohexyl)methoxy)ethyl)carbamate
CAS: 926657-43-4
CID: 52204060
Formula: C21H32FNO4
MW: 381.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass381.23153666
Monoisotopic Mass381.23153666
Topological Polar Surface Area56.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity410
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-114056A(+) -AS115
GTR19235589-01AS115

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