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TCS-OX2-29 hydrochloride - ≥98%(HPLC), high purity , CAS No.1610882-30-8

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1610882-30-8
Molecular Weight: 433.97
PubChem CID: 53302033
PubChem SID: 488201570

In stock

Item Number

T287082

Grouped product items
SKU	Size	Availability	Price
T287082-5mg	5mg	3	$140.90
T287082-10mg	10mg	2	$215.90
T287082-25mg	25mg	1	$485.90
T287082-50mg	50mg	1	$904.90
T287082-100mg	100mg	1	$1,627.90

Potent and selective OX2antagonist

View related series

Class A GPCR (4138) GPCR/G Protein (3172) Neuronal Signaling (3320) Orexin Receptor (OX Receptor) (38)

Basic Description

Synonyms	(2S)-1-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-3,3-dimethyl-2-[(4-pyridinylmethyl)amino]-1-butanone hydrochloride \| TCS-OX2-29 HCl
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent and selective OX2receptor antagonist (IC50= 40 nM). Displays >250-fold selectivity for OX2over OX1and a range of receptors, ion channels and transporters. Inhibits orexin A induced IP3accumulation and ERK1/2 phosphorylation in CHO cells transfected
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Valine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Valine and derivatives
Alternative Parents	Alpha amino acid amides Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Valine or derivatives - Alpha-amino acid amide - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Amine - Hydrochloride - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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

Pubchem Sid	488201570
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488201570
IUPAC Name	(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one;hydrochloride
INCHI	InChI=1S/C23H31N3O3.ClH/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26;/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3;1H/t21-;/m1./s1
InChIKey	NHKNHFJTMINMBP-ZMBIFBSDSA-N
Smiles	CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3.Cl
Isomeric SMILES	CC(C)(C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3.Cl
PubChem CID	53302033
Molecular Weight	433.97

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.

10 results found

Lot Number	Certificate Type	Date	Item
D2307023	Certificate of Analysis	Feb 13, 2023	T287082
D2307027	Certificate of Analysis	Feb 13, 2023	T287082
D2307021	Certificate of Analysis	Feb 13, 2023	T287082
D2307029	Certificate of Analysis	Feb 13, 2023	T287082
D2307020	Certificate of Analysis	Feb 13, 2023	T287082
D2307012	Certificate of Analysis	Feb 13, 2023	T287082
D2307017	Certificate of Analysis	Feb 13, 2023	T287082
D2307016	Certificate of Analysis	Feb 13, 2023	T287082
D2307028	Certificate of Analysis	Feb 13, 2023	T287082
D2307030	Certificate of Analysis	Feb 13, 2023	T287082

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 43.4, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 10.85, Max Conc. mM: 25
Molecular Weight	434.000 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	433.213 Da
Monoisotopic Mass	433.213 Da
Topological Polar Surface Area	63.700 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	530.000
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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