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AN-12-H5

CAT: 0804-HY-120900-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120900-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AN-12-H5, an antienterovirus compound, targets the replication processes of PV and enterovirus 71 (EV71) [1].
CAS Number
1193340-31-6
UNSPSC
12352005
Target
Enterovirus
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/an-12-h5.html
Purity
98.03
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(C1=CC=CS1)(N[C@@H](CC2)C[C@](C(NC3=CC=C(C4=CC=C(SC)C=C4)C=C35)=O)([H])N2C5=O)=O
Molecular Formula
C24H23N3O4S3
Molecular Weight
513.65
References & Citations
[1]
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

CID 11866397
CAS Number1193340-31-6
PubChem CID11866397
IUPAC NameN-[(6aS,8S)-2-(4-methylsulfanylphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]thiophene-2-sulfonamide
Molecular FormulaC24H23N3O4S3
Molecular Weight513.7
XLogP3.8
Topological Polar Surface Area158
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity871
SMILES
CSC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)[C@@H]4C[C@H](CCN4C3=O)NS(=O)(=O)C5=CC=CS5
InChI
InChI=1S/C24H23N3O4S3/c1-32-18-7-4-15(5-8-18)16-6-9-20-19(13-16)24(29)27-11-10-17(14-21(27)23(28)25-20)26-34(30,31)22-3-2-12-33-22/h2-9,12-13,17,21,26H,10-11,14H2,1H3,(H,25,28)/t17-,21-/m0/s1
InChIKey
KMEQIEMNQWFPPZ-UWJYYQICSA-N
Chemical Structure
2D Structure
2D structure of CID 11866397
CAS: 1193340-31-6
CID: 11866397
Formula: C24H23N3O4S3
MW: 513.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.7
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass513.08506974
Monoisotopic Mass513.08506974
Topological Polar Surface Area158 Ų
Heavy Atom Count34
Formal Charge0
Complexity871
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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