UCPH-101 - Moligand™, 10mM in DMSO , 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.: U420631 분자식: C₂₇H₂₂N₂O₃ 분자량: 422.48 PubChem CID: 25223366

등급 & 순도 Moligand™, 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

사양

동의어

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-

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

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 .

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of Excitatory amino acid transporter 1

이름과 식별자

Pubchem Sid

528767568

정식 스마일

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

이성체 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

분자량

422.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

화학 및 물리적 특성

• 분자량: 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