NSC15364 - ≥99% , CAS No.4550-72-5

CAS: 4550-72-5 Cat. No.: N412262 Molecular Weight: 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

Overview

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

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-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Product Properties

• ALogP: 1.029
• hba_count: 1
• HBD Count: 4
• Rotatable Bond: 2

Names and Identifiers

• Pubchem Sid: 488188759
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188759
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC(=CC=C1N)NC(=O)NC2=CC=C(C=C2)N
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Acinetobacter baumannii (41033 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 48 mg/mL (198.11 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO(mg / mL) Max Solubility: 48
• DMSO(mM) Max Solubility: 198.117880138682
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 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