Sepimostat - Moligand™,≥95% , CAS No.103926-64-3

CAS: 103926-64-3 Cat. No.: S413390 分子式: C₂₁H₁₉N₅O₂ 分子量: 373.41

GRADE & PURITY Moligand™, ≥95%

Synonyms

SCHEMBL15535526 | Sepimostat [INN] | Q27263101 | HY-136299 | F81697 | (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate | UNII-5ZFR16F4QQ | Sepimostat | 6-Carbamimidoylnaphthalen-2-yl 4-((4,5-dihydro-1H-imidazol-2-yl)amino)ben

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Information

Sepimostat (FUT-187 free base) is an inhibitor of Ifenprodil binding with Ki of 27.7  μM. Sepimostat is an antagonist of NR2B N-methyl-D-aspartate receptor acting at the Ifenprodil-binding site of the NR2B subunit with neuroprotective activity.

Specifications

同義語

SCHEMBL15535526 | Sepimostat [INN] | Q27263101 | HY-136299 | F81697 | (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate | UNII-5ZFR16F4QQ | Sepimostat | 6-Carbamimidoylnaphthalen-2-yl 4-((4,5-dihydro-1H-imidazol-2-yl)amino)ben

仕様と純度

Moligand™,≥95%

生化学的・生理学的メカニズム

Sepimostat (FUT-187 free base) is an inhibitor of Ifenprodil binding with Ki of 27.7\u2009 μM. Sepimostat is an antagonist of NR2B N-methyl-D-aspartate receptor acting at the Ifenprodil-binding site of the NR2B subunit with neuroprotective activity.

保管条件

Protected from light,Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N
• IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate
• InChIKey: QMRJOIUGPCVZPH-UHFFFAOYSA-N
• INCHI: 1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26)
• 異性体SMILES: C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N
• 分子量: 373.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Benzoic acid esters Aniline and substituted anilines Imidazolyl carboxylic acids and derivatives Benzoyl derivatives Imidazolines Guanidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoate ester - Naphthalene - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Imidazolyl carboxylic acid derivative - Monocyclic benzene moiety - 2-imidazoline - Carboxylic acid ester - Guanidine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（人間）

F12 Tchem Coagulation factor XII (1 Activities)

Discover Target: F12

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

関連ターゲット（非人間）

Trypsin (394 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 分子量: 373.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 373.154 Da
• Monoisotopic Mass: 373.154 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 614.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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