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NNC 55-0396 dihydrochloride - ≥99%, high purity , CAS No.357400-13-6

COA COA
    Grade & Purity:
  • ≥99%
In stock
Item Number
N274718
Grouped product items
SKU Size
Availability
 Price Qty
N274718-5mg
5mg
2
$157.90
N274718-10mg
10mg
2
$256.90
N274718-25mg
25mg
2
$578.90
N274718-50mg
50mg
2
$899.90
N274718-100mg
100mg
2
$1,444.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Highly selective T-type Ca 2+ channel blocker

View related series
Calcium Channel (223) Ion channel (2197) Membrane Transporter/Ion Channel (1822) Neuronal Signaling (3320)

Basic Description

Synonyms NNC 55-0396 dihydrochloride | AKOS024457020 | Cyclopropanecarboxylic acid, (1S,2S)-2-(2-((3-(1H-benzimidazol-2-yl)propyl)methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl ester, dihydrochloride | HY-50722 | rac-(1R,2R)-2-(2-(
Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms Highly selective T-type Ca 2+ channel blocker. IC 50 values are 6.8 and >100 μM for Ca v 3.1 T-type channels and HVA currents, respectively. Crosses the blood-brain barrier.
Storage Temp Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Tetralins
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Tetralins
Alternative Parents Benzimidazoles  Aralkylamines  Aryl fluorides  Cyclopropanecarboxylic acids and derivatives  Heteroaromatic compounds  Imidazoles  Amino acids and derivatives  Carboxylic acid esters  Trialkylamines  Monocarboxylic acids and derivatives  Azacyclic compounds  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organofluorides  Hydrochlorides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Tetralin - Benzimidazole - Aralkylamine - Aryl fluoride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors Not available

Associated Targets(Human)

CACNA1H Tclin Voltage-dependent T-type calcium channel subunit alpha-1H (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CACNA1B Tclin Voltage-dependent N-type calcium channel subunit alpha-1B (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CACNA1H Tclin Voltage-gated T-type calcium channel alpha-1H subunit (1913 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CACNA1B Tclin Voltage-gated N-type calcium channel alpha-1B subunit (743 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SNCA Tchem Alpha-synuclein (10960 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504769145
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504769145
IUPAC Name [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate;dihydrochloride
INCHI InChI=1S/C30H38FN3O2.2ClH/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H/t28-,30-;;/m0../s1
InChIKey BCCQNBXHUMKLFW-HNQRYHMESA-N
Smiles CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)C=C(C=C2)F.Cl.Cl
Isomeric SMILES CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)C=C(C=C2)F.Cl.Cl
PubChem CID 22084904
Molecular Weight 564.6

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number Certificate Type Date Item
B2307774 Certificate of Analysis Nov 14, 2023 N274718
B2307754 Certificate of Analysis Nov 14, 2023 N274718
B2307755 Certificate of Analysis Nov 14, 2023 N274718
B2307757 Certificate of Analysis Nov 14, 2023 N274718
B2307770 Certificate of Analysis Nov 14, 2023 N274718

Chemical and Physical Properties

Sensitivity Moisture sensitive.
Molecular Weight 564.600 g/mol
XLogP3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 563.248 Da
Monoisotopic Mass 563.248 Da
Topological Polar Surface Area 58.200 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 746.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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 3

Solution Calculators

Reviews

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