NSC15364 - ≥99% , CAS No.4550-72-5

CAS: 4550-72-5 Cat. No.: N412262 分子式: C₁₃H₁₄N₄O 分子量: 242.28

GRADE & PURITY ≥99%

Synonyms

1,3-Bis(p-aminophenyl)urea | AS-40730 | YSZC2252 | MFCD00797928 | MLS000737784 | A872374 | HMS2885K10 | 4,4'-DIAMINO CARBANILID | N,N'-Bis[p-aminophenyl]urea | 4,4'-DIAMINO CARBANILIDE | SCHEMBL8772924 | SMR000528161 | Carbanilide,4'-diamino- | 1,2-bis(4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

NSC15364 NSC 15364 (compound 59) is an inhibitor that directly interacts with VDAC1 and prevents VDAC1 oligomerization , concomitant with an inhibition of apoptosis .

Targets

VDAC1

Specifications

同義語

1,3-Bis(p-aminophenyl)urea | AS-40730 | YSZC2252 | MFCD00797928 | MLS000737784 | A872374 | HMS2885K10 | 4,4'-DIAMINO CARBANILID | N,N'-Bis[p-aminophenyl]urea | 4,4'-DIAMINO CARBANILIDE | SCHEMBL8772924 | SMR000528161 | Carbanilide,4'-diamino- | 1,2-bis(4-

仕様と純度

≥99%

生化学的・生理学的メカニズム

NSC 15364 (compound 59) is an inhibitor that directly interacts with VDAC1 and prevents VDAC1 oligomerization, concomitant with an inhibition of apoptosis.

保管条件

Store at -20°C

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。

アクションタイプ

INHIBITOR

純度

≥99%

製品の性質

• ALogP: 1.029
• hba_count: 1
• HBD数: 4
• 回転可能な結合: 2

名前と識別子

• パブケム・シド: 488188759
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488188759
• カノニカル・スマイル: C1=CC(=CC=C1N)NC(=O)NC2=CC=C(C=C2)N
• IUPAC Name: 1,3-bis(4-aminophenyl)urea
• InChIKey: MAPWYRGGJSHAAU-UHFFFAOYSA-N
• INCHI: 1S/C13H14N4O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,14-15H2,(H2,16,17,18)
• 異性体SMILES: C1=CC(=CC=C1N)NC(=O)NC2=CC=C(C=C2)N
• 分子量: 242.28
• Reaxy-Rn: 2133453
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2133453&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Aniline and substituted anilines Ureas Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Aniline or substituted anilines - Urea - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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）

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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

関連ターゲット（非人間）

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Klebsiella pneumoniae (43867 Activities)

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

Staphylococcus aureus (210822 Activities)

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

Acinetobacter baumannii (41033 Activities)

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

Escherichia coli (133304 Activities)

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Cryptococcus neoformans (21258 Activities)

Explore this target

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

Candida albicans (78123 Activities)

Explore this target

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

• 溶解度: Solubility (25°C) In vitro DMSO: 48 mg/mL (198.11 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO（mg / mL） 最大溶解度: 48
• DMSO（mM） 最大溶解度: 198.117880138682
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 242.280 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 242.117 Da
• Monoisotopic Mass: 242.117 Da
• Topological Polar Surface Area: 93.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 242.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4550-72-5, the molecular formula is C13H14N4O, and the molecular weight is 242.28 g/mol. InChIKey MAPWYRGGJSHAAU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.