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Cs-2d

CAT: 0804-HY-175198Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-175198Size:1 Each
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Description
Cs-2d is a selective ceramide synthases Cer1 inhibitor. Cs-2d has potent inhibitory activity toward C. neoformans Cer1, while maintaining a low off-target effect on human hCerS1. Cs-2d has potent antifungal activity with the significant growth inhibition. Cs-2d can be used for invasive fungal infections research[1].
CAS Number
2928129-57-9
UNSPSC
12352005
Target
Acyltransferase; Fungal
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Field of Research
Infection
Smiles
NCCCCCN1C(C2=C(C)C=C(OCO3)C3=C2)=C(C4=CC=CC=C4)N=C1.Cl.Cl
Molecular Formula
C22H27Cl2N3O2
Molecular Weight
436.37
References & Citations
[1]Dasilva D, et al. Targeting ceramide synthases for the development of new antifungals. Structure. 2025 Jun 12:S0969-2126 (25) 00213-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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