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Calindol hydrochloride - ≥98%, high purity , CAS No.729610-18-8
a new calcimimetic compound acting at the calcium sensing receptor
Basic Description
Synonyms
(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride | (1R)-N-[(1H-Indol-2-yl)methyl]-1-(naphthalen-1-yl)ethan-1-amine--hydrogen chloride (1/1) | (R)-2-[[[1-(1-Naphthyl)ethyl]amino]methyl]-1H-indole Hydrochloride | AS-57849 | AKOS0302545
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Calindol hydrochloride is a new calcimimetic compound acting at the calcium sensing receptor. It is a positive allosteric modulator of the human Ca|2+|receptor which activates an extracellular ligand-binding domain-deleted, Rhodopsin-like, seven-transmembrane structure in the absence of Ca|2+|.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Indoles Aralkylamines Substituted pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthalene - Indole - Indole or derivatives - Aralkylamine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Hydrochloride - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride
INCHI
InChI=1S/C21H20N2.ClH/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18;/h2-13,15,22-23H,14H2,1H3;1H/t15-;/m1./s1
InChIKey
KFILKQPBQZIRST-XFULWGLBSA-N
Smiles
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N3.Cl
Isomeric SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N3.Cl
Molecular Weight
336.86
Reaxy-Rn
24217424
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24217424&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Chloroform and Methanol
Melt Point(°C)
208-210° C (dec.)
Molecular Weight
336.900 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
336.139 Da
Monoisotopic Mass
336.139 Da
Topological Polar Surface Area
27.800 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
382.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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
2
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