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YYA-021

CAT: 0804-HY-100039-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-100039-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YYA-021 is a small-molecule CD4 mimic that inhibits HIV entry, with high anti-HIV activity and low cytotoxicity[1][2].
CAS Number
144217-65-2
UNSPSC
12352005
Hazard Statement
H302, H319, H372, H410
Target
HIV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/YYA-021.html
Purity
98.96
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(C)C=C1)C(NC2CC(C)(C)NC(C)(C)C2)=O
Molecular Formula
C18H27N3O2
Molecular Weight
317.43
Precautions
H302, H319, H372, H410
References & Citations
[1]Mizuguchi T, et al. A minimally cytotoxic CD4 mimic as an HIV entry inhibitor. Bioorg Med Chem Lett. 2016 Jan 15;26 (2) :397-400.|[2]Hashimoto C, et al. A CD4 mimic as an HIV entry inhibitor: pharmacokinetics. Bioorg Med Chem. 2013 Dec 15;21 (24) :7884-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CAS Number144217-65-2
PubChem CID3107635
IUPAC NameN'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
Molecular FormulaC18H27N3O2
Molecular Weight317.4
XLogP2.5
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity435
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)NC2CC(NC(C2)(C)C)(C)C
InChI
InChI=1S/C18H27N3O2/c1-12-6-8-13(9-7-12)19-15(22)16(23)20-14-10-17(2,3)21-18(4,5)11-14/h6-9,14,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKey
AYAGJQPDCPRMNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CAS: 144217-65-2
CID: 3107635
Formula: C18H27N3O2
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass317.21032711
Monoisotopic Mass317.21032711
Topological Polar Surface Area70.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity435
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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Alternative Products

CatalogName
MBS131455YYA-021 (YYA 021; YYA021)
B3705-25YYA-021
A14296-5YYA-021 5mg
A14296-200YYA-021 200mg
A14296-25YYA-021 25mg
A14296-50YYA-021 50mg
A14296-10YYA-021 10mg
A14296-100YYA-021 100mg
A14296-10mM-DYYA-021 10mM * 1mL in DMSO

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