VU0155069 - ≥98% , CAS No.1130067-06-9

CAS: 1130067-06-9 Cat. No.: V275370 分子式: C₂₆H₂₇ClN₄O₂ 分子量: 462.97 PubChem CID: 56972237

GRADE & PURITY ≥98%

Synonyms

CAY10593

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

VU0155069 (CAY10593), compound 69, is a selective phospholipase D1 (PLD1) inhibitor with an IC50 value of 46 nM in vitro. VU0155069 (CAY10593) strongly inhibits the invasive migration of several cancer cell lines in transwell assays

Specifications

同義語

CAY10593

仕様と純度

≥98%

生化学的・生理学的メカニズム

Potent and selective PLD1 inhibitor (IC 50 values are 46 and 933 nM for PLD1 and PLD2 respectively). Inhibits migration in cancer cell lines.

保管条件

Store at -20°C,Desiccated

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。

注

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.

純度

≥98%

名前と識別子

• パブケム・シド: 528767665
• カノニカル・スマイル: CC(CN1CCC(CC1)N2C3=C(C=C(C=C3)Cl)NC2=O)NC(=O)C4=CC5=CC=CC=C5C=C4.Cl
• IUPAC Name: N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide;hydrochloride
• InChIKey: RQULTQQAHGYYDG-LMOVPXPDSA-N
• INCHI: 1S/C26H27ClN4O2.ClH/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33;/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33);1H/t17-;/m0./s1
• 異性体SMILES: C[C@@H](CN1CCC(CC1)N2C3=C(C=C(C=C3)Cl)NC2=O)NC(=O)C4=CC5=CC=CC=C5C=C4.Cl
• 代替CAS番号: 1781834-89-6
• PubChem CID: 56972237
• 分子量: 462.97

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxamides
• Alternative Parents: Benzimidazoles Piperidines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Ureas Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalenecarboxamide - Benzimidazole - Aryl chloride - Aryl halide - Piperidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up 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

化学的性質と物理的性質

• 溶解度: Soluble in DMSO to 50 mM or ethanol to 50 mM
• 分子量: 499.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 498.159 Da
• Monoisotopic Mass: 498.159 Da
• Topological Polar Surface Area: 64.700 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 712.000
• 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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