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HDM-IN-1

CAT: 0804-HY-169919Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-169919Size:1 Each
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Description
HDM-IN-1 (Compound A4) is an inhibitor for fungal histone demethylase (HDM), that inhibits the H3K27me3 in Cryptococcus neoformans and in Candida auris with IC50s of 134 and 12 nM. HDM-IN-1 exhibits inhibitory efficacy against C. neoformans and C. auris with MIC80 of 0.5-2 μg/mL, through inhibition of the biofilm and capsule formation. HDM-IN-1 exhibits antifungal activity in ICR mouse model[1].
CAS Number
3020690-76-7
UNSPSC
12352005
Target
Fungal; Histone Demethylase
Type
Reference compound
Related Pathways
Anti-infection; Epigenetics
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/hdm-in-1.html
Smiles
COC(C=C1)=CN=C1N/N=C(C2=NC=CC=C2)\C3=NC=CC=C3
Molecular Formula
C17H15N5O
Molecular Weight
305.33
References & Citations
[1]Liu X, et al., Discovery of new fungal jumonji H3K27 demethylase inhibitors for the treatment of Cryptococcus neoformans and Candida auris infections. Eur J Med Chem. 2025 Jan 5;281:117028.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(dipyridin-2-ylmethylideneamino)-5-methoxypyridin-2-amine
CAS Number3020690-76-7
PubChem CID176419373
IUPAC NameN-(dipyridin-2-ylmethylideneamino)-5-methoxypyridin-2-amine
Molecular FormulaC17H15N5O
Molecular Weight305.33
XLogP3.2
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity369
SMILES
COC1=CN=C(C=C1)NN=C(C2=CC=CC=N2)C3=CC=CC=N3
InChI
InChI=1S/C17H15N5O/c1-23-13-8-9-16(20-12-13)21-22-17(14-6-2-4-10-18-14)15-7-3-5-11-19-15/h2-12H,1H3,(H,20,21)
InChIKey
FSWCVBMKBCDAKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(dipyridin-2-ylmethylideneamino)-5-methoxypyridin-2-amine
CAS: 3020690-76-7
CID: 176419373
Formula: C17H15N5O
MW: 305.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.33
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass305.12766012
Monoisotopic Mass305.12766012
Topological Polar Surface Area72.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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