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Dasolampanel , Glutamate receptor ionotropic kainate 1 antagonist, CAS No.503294-13-1, Glutamate receptor ionotropic kainate 1 antagonist

COA

Cas Number: 503294-13-1
Molecular Weight: 377.8
PubChem CID: 51049972

In stock

Item Number

D671214

Grouped product items
SKU	Size	Availability	Price	Qty
D671214-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90

Basic Description

Synonyms	DASOLAMPANEL \| SXI \| 3-Isoquinolinecarboxylic acid, 6-(3-chloro-2-(2H-tetrazol-5-yl)phenoxy)decahydro-, (3S,4aS,6S,8aR)- \| D10107 \| UNII-1P85D6BE9K \| CHEBI:177544 \| (3s,4as,6s,8ar)-6-[3-Chloro-2-(1h-Tetrazol-5-Yl)phenoxy]decahydroisoquinoline-3-Carboxylic
Action Type	ANTAGONIST
Mechanism of action	Glutamate receptor ionotropic kainate 1 antagonist

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Tetrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Tetrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenyltetrazoles and derivatives
Alternative Parents	L-alpha-amino acids Piperidinecarboxylic acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenyltetrazole - L-alpha-amino acid - Alpha-amino acid - Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Piperidine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Secondary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid - Secondary amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(3S,4aS,6S,8aR)-6-[3-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
INCHI	InChI=1S/C17H20ClN5O3/c18-12-2-1-3-14(15(12)16-20-22-23-21-16)26-11-5-4-9-8-19-13(17(24)25)7-10(9)6-11/h1-3,9-11,13,19H,4-8H2,(H,24,25)(H,20,21,22,23)/t9-,10+,11-,13-/m0/s1
InChIKey	LAKQPSQCICNZII-NOHGZBONSA-N
Smiles	C1CC2CNC(CC2CC1OC3=C(C(=CC=C3)Cl)C4=NNN=N4)C(=O)O
Isomeric SMILES	C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1OC3=C(C(=CC=C3)Cl)C4=NNN=N4)C(=O)O
Molecular Weight	377.8
Reaxy-Rn	48096637
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48096637&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	377.800 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	377.125 Da
Monoisotopic Mass	377.125 Da
Topological Polar Surface Area	113.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	513.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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

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