≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
HUP30 is a vasodilating agent. HUP30 stimulates soluble guanylyl cyclase, activate K + channels, and blocks extracellular Ca 2+ influx.
In Vitro
HUP30 inhibits Phenylephrine-induced aorta contraction with an IC 50 value of 3.9 μM. HUP30 (100 μM) increases cGMP levels in Phenylephrine-stimulated aorta. HUP30 causes an antispasmodic effect on rat aorta rings contracted by 25/30 mM K + , with an IC 50 value of 7.5 μM. HUP30 (3-100 μM) inhibits both extracellular Ca 2+ influx and Ca 2+ mobilization induced by Phenylephrine. HUP30 (10-100 μM) inhibits the current in single tail artery myocytes. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Canonical Smiles | C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-(6-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide |
| InChIKey | VMAKFFKOZSLHDW-UHFFFAOYSA-N |
| INCHI | 1S/C14H15N3O3S/c18-13(9-4-2-1-3-5-9)16-14-15-11-7-6-10(17(19)20)8-12(11)21-14/h6-9H,1-5H2,(H,15,16,18) |
| Isomeric SMILES | C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
| WGK Germany | 3 |
| PubChem CID | 739510 |
| Molecular Weight | 305.35 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Nitroaromatic compounds N-arylamides Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - Nitroaromatic compound - N-arylamide - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (327.49 mM; ultrasonic and warming and heat to 50°C) |
|---|---|
| Molecular Weight | 305.350 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 305.083 Da |
| Monoisotopic Mass | 305.083 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 409.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
