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Cs-2d

CAT: 0013-GTR19264159-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264159-01Size:10 mg
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Description
Cs-2d is a selective inhibitor of the ceramide synthase Cer1. It exhibits potent inhibitory activity against Cer1 in C. neoformans, while maintaining low off-target effects on human hCerS1. Cs-2d demonstrates strong antifungal activity and significantly suppresses fungal growth. It is applicable in studies of invasive fungal infections.
CAS Number
2928129-57-9
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
CC1=C (C=C2OCOC2=C1) C3=C (C4=CC=CC=C4) N=CN3CCCCCN.Cl.Cl
Molecular Formula
C22H27Cl2N3O2
Molecular Weight
436.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[5-(6-Methyl-1,3-benzodioxol-5-yl)-4-phenylimidazol-1-yl]pentan-1-amine;dihydrochloride
CAS Number2928129-57-9
PubChem CID154886789
IUPAC Name5-[5-(6-methyl-1,3-benzodioxol-5-yl)-4-phenylimidazol-1-yl]pentan-1-amine;dihydrochloride
Molecular FormulaC22H27Cl2N3O2
Molecular Weight436.4
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity457
SMILES
CC1=CC2=C(C=C1C3=C(N=CN3CCCCCN)C4=CC=CC=C4)OCO2.Cl.Cl
InChI
InChI=1S/C22H25N3O2.2ClH/c1-16-12-19-20(27-15-26-19)13-18(16)22-21(17-8-4-2-5-9-17)24-14-25(22)11-7-3-6-10-23;;/h2,4-5,8-9,12-14H,3,6-7,10-11,15,23H2,1H3;2*1H
InChIKey
IASQHYUGFHKMBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[5-(6-Methyl-1,3-benzodioxol-5-yl)-4-phenylimidazol-1-yl]pentan-1-amine;dihydrochloride
CAS: 2928129-57-9
CID: 154886789
Formula: C22H27Cl2N3O2
MW: 436.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass435.1480325
Monoisotopic Mass435.1480325
Topological Polar Surface Area62.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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