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As-358

CAT: 0013-GTR19187847-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187847-03Size:100 mg
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Description
As-358 is a small molecule inhibitor active against Ebola virus (IC50 = 47.5 μM) and Marburg virus (IC50 = 3.7 μM) . It serves as a research tool for in vitro antiviral studies targeting filoviruses, aiding in the investigation of potential therapeutic strategies.
CAS Number
2222042-47-7
Field of Research
Infectious Disease & Virology
Smiles
C[C@@]12[C@H] (OC (CCN3CCCCC3) =O) C[C@@] (C1 (C) C) (CC2) [H]
Molecular Formula
C18H31NO2
Molecular Weight
293.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 145979369
CAS Number2222042-47-7
PubChem CID145979369
IUPAC Name[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-piperidin-1-ylpropanoate
Molecular FormulaC18H31NO2
Molecular Weight293.4
XLogP3.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity400
SMILES
C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)CCN3CCCCC3
InChI
InChI=1S/C18H31NO2/c1-17(2)14-7-9-18(17,3)15(13-14)21-16(20)8-12-19-10-5-4-6-11-19/h14-15H,4-13H2,1-3H3/t14-,15+,18+/m0/s1
InChIKey
BMTQTMGZNRLSQL-HDMKZQKVSA-N
Chemical Structure
2D Structure
2D structure of CID 145979369
CAS: 2222042-47-7
CID: 145979369
Formula: C18H31NO2
MW: 293.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass293.235479232
Monoisotopic Mass293.235479232
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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