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(S) -HN0037

CAT: 0804-HY-163529A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-163529A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -HN0037 is the (S) -isomer of HN0037 , a selective and orally active helicase-primase inhibitor that inhibits HSV replication by targeting the viral helicase-primase enzyme complex[1].
CAS Number
2233566-78-2
UNSPSC
12352005
Target
HSV
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/s-hn0037.html
Purity
98.42
Smiles
O=C(N(C1=NC(C)=C(S1)S(N)(=O)=O)C)[C@H]2CC(C=CC(C3=CC=CC=N3)=C4)=C4C2
Molecular Formula
C20H20N4O3S2
Molecular Weight
428.53
References & Citations
[1]Hou J, et al. Pharmacokinetics and Safety Study of HN0037, a Novel Anti-Human Herpes Simplex Virus Inhibitor, in Healthy Volunteers. Clin Pharmacol Drug Dev. 2022 Dec;11 (12) :1467-1473.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CAS Number2233566-78-2
PubChem CID146246313
IUPAC Name(2S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
Molecular FormulaC20H20N4O3S2
Molecular Weight428.5
XLogP2.5
Topological Polar Surface Area143
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity713
SMILES
CC1=C(SC(=N1)N(C)C(=O)[C@H]2CC3=C(C2)C=C(C=C3)C4=CC=CC=N4)S(=O)(=O)N
InChI
InChI=1S/C20H20N4O3S2/c1-12-19(29(21,26)27)28-20(23-12)24(2)18(25)16-9-13-6-7-14(10-15(13)11-16)17-5-3-4-8-22-17/h3-8,10,16H,9,11H2,1-2H3,(H2,21,26,27)/t16-/m0/s1
InChIKey
KVGIVOAGCRDHHH-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (2S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CAS: 2233566-78-2
CID: 146246313
Formula: C20H20N4O3S2
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass428.09768286
Monoisotopic Mass428.09768286
Topological Polar Surface Area143 Ų
Heavy Atom Count29
Formal Charge0
Complexity713
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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