NPPM 6748-481 - ≥99% , CAS No.432020-20-7

CAS: 432020-20-7 Cat. No.: N648714 Formula: C₁₇H₁₅ClFN₃O₃ Molecular Weight: 363.77 EC Number: 809-305-0 PubChem CID: 1334619

GRADE & PURITY ≥99%

Synonyms

SR-01000242455 | IUO | smi481 | SMI-481 | SMI481, >=98% (HPLC) | AS-16587 | Z30011284 | E98728 | SR-01000242455-1 | AKOS040747484 | (4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone | SMI 481 | STL259343 | NPPM 6748-481 | (4-Chloro-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

NPPM 6748-481 is a selective inhibitor of the yeast phosphatidylinositol transfer protein (PITP) Sec14.

Form:Solid

Specifications

Synonyms

SR-01000242455 | IUO | smi481 | SMI-481 | SMI481, >=98% (HPLC) | AS-16587 | Z30011284 | E98728 | SR-01000242455-1 | AKOS040747484 | (4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone | SMI 481 | STL259343 | NPPM 6748-481 | (4-Chloro-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

NPPM 6748-481 is a selective inhibitor of the yeast phosphatidylinositol transfer protein (PITP) Sec14.

Storage

Store at -20°C,Argon charged

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%

Names and Identifiers

Canonical Smiles

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

IUPAC Name

(4-chloro-3-nitrophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

InChIKey

LSPJXCGEFJDMHA-UHFFFAOYSA-N

INCHI

1S/C17H15ClFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

WGK Germany

3

PubChem CID

1334619

Molecular Weight

363.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines 4-halobenzoic acids and derivatives Benzamides Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organochlorides Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - C-nitro compound - Organic nitro compound - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (274.90 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 363.800 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 363.079 Da
• Monoisotopic Mass: 363.079 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 496.000
• 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

Frequently Asked Questions

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 432020-20-7, the molecular formula is C17H15ClFN3O3, and the molecular weight is 363.77 g/mol. InChIKey LSPJXCGEFJDMHA-UHFFFAOYSA-N.

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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.