NVP-VID-400 - ≥98% , CAS No.174262-13-6

CAS: 174262-13-6 Cat. No.: N412261 Formula: C₂₄H₂₀ClN₃O Peso molecolare: 401.89

GRADE & PURITY ≥98%

Synonyms

SDZ285428

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

NVP-VID-400 NVP-VID-400 (SDZ285428) is an inhibitor of CYP51 . NVP-VID-400 (SDZ285428) inhibits T. cruzi and T. brucei with I/E 2 a (5 min) of both <1 and I/E 2 (60 min) of 9 and 35, respectively.

Targets

CYP51

Specifications

Sinonimi

SDZ285428

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

NVP-VID-400 (SDZ285428) is an inhibitor of CYP51. NVP-VID-400 (SDZ285428) inhibits T. cruzi and T. brucei with I/E₂^a(5 min) of both <1 and I/E₂(60 min) of 9 and 35, respectively.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

4.574

hba_count

2

Conteggio HBD

1

Legame rotabile

6

Nomi e identificatori

Pubchem Sid

504765147

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765147

Sorrisi canonici

C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)N4C=CN=C4

IUPAC Name

4-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)benzamide

InChIKey

FHHNSSGZEIVGMS-UHFFFAOYSA-N

INCHI

1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)

Isomeri SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)N4C=CN=C4

Peso molecolare

401.89

Reaxy-Rn

11747740

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11747740&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorinated biphenyls
• Alternative Parents: Benzamides Benzoyl derivatives Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorinated biphenyl - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
• 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

Obiettivi associati (umani)

CYP24A1 Tchem 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (1 Activities)

Discover Target: CYP24A1

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

CYP27B1 Tchem 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial (1 Activities)

Discover Target: CYP27B1

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

Obiettivi associati (non umani)

Cyp24a1 Cytochrome P450 24A1 (20 Activities)

Discover Target: Cyp24a1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 15 mg/mL (37.32 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL
• DMSO (mg/mL) Solubilità massima: 15
• DMSO (mM) Solubilità massima: 37.3236457737192
• Acqua (mg/mL) Solubilità massima: ˂1
• Peso molecolare: 401.900 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 401.129 Da
• Monoisotopic Mass: 401.129 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 508.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% 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 174262-13-6, the molecular formula is C24H20ClN3O, and the molecular weight is 401.89 g/mol. InChIKey FHHNSSGZEIVGMS-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.