UCPH-101 - Moligand™, ≥98% , Inhibitor of Excitatory amino acid transporter 1, CAS No.1118460-77-7, Inhibitor of Excitatory amino acid transporter 1

CAS: 1118460-77-7 Cat. No.: U274885 Molecular Weight: 422.48 PubChem CID: 25223366

GRADE & PURITY Moligand™, ≥98%

Synonyms

UCPH 101 | SCHEMBL562822 | C27H22N2O3 | YBMGNDPBARCLFT-UHFFFAOYSA-N | EX-A2602 | Q27089063 | GTPL4609 | BCP29137 | C71392 | HB0630 | J-002643 | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene- 3-carbonitrile | 1118460-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

UCPH 101 | SCHEMBL562822 | C27H22N2O3 | YBMGNDPBARCLFT-UHFFFAOYSA-N | EX-A2602 | Q27089063 | GTPL4609 | BCP29137 | C71392 | HB0630 | J-002643 | 2-Amino-5, 6, 7, 8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene- 3-carbonitrile | 1118460-

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Selective inhibitor of EAAT1 (IC 50 = 0.67 μM). Displays >400-fold selectivity over EAAT2 and EAAT3. Blood-brain barrier permeable analog UCPH-102 also available .

Storage

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.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Excitatory amino acid transporter 1

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770026
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770026
• Canonical Smiles: COC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC5=CC=CC=C54)N)C#N
• IUPAC Name: 2-amino-4-(4-methoxyphenyl)-7-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
• InChIKey: YBMGNDPBARCLFT-UHFFFAOYSA-N
• INCHI: 1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,25H,13-14,29H2,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC5=CC=CC=C54)N)C#N
• PubChem CID: 25223366
• Molecular Weight: 422.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Cyclohexenones Alkyl aryl ethers Pyrans Vinylogous esters Ketene acetals Oxacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Cyclohexenone - Monocyclic benzene moiety - Pyran - Vinylogous ester - Ketene acetal or derivatives - Ketone - Ether - Oxacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SLC1A3 Tchem Excitatory amino acid transporter 1 (9 Activities)

Discover Target: SLC1A3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 25 mM
• Molecular Weight: 422.500 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 422.163 Da
• Monoisotopic Mass: 422.163 Da
• Topological Polar Surface Area: 85.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 857.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1