CTPI-2 - ≥98% , CAS No.68003-38-3

CAS: 68003-38-3 Cat. No.: C412834 Fórmula: C₁₃H₉ClN₂O₆S Peso molecular: 356.74 Número CE: 268-121-3

GRAU & PUREZA ≥98%

Synonyms

Z45511835 | Benzoic acid, 2-[[(4-chloro-3-nitrophenyl)sulfonyl]amino]- | 2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid | 2-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoic acid | EINECS 268-121-3 | s2968 | W68P7TR4ZT | 2-((4-Chloro-3-nitrophenyl)su

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

CTPI-2 CTPI-2 is an inhibitor of mitochondrial citrate carrier SLC25A1 with K D of 3.5 μM. CTPI-2 is a unique regulator of glycolysis that limits the metabolic plasticity of cancer stem cells (CSCs).

Targets

glycolysis ; SLC25A1 (Cell-free assay) ; 3.5 μM(Kd)

Especificações

Sinónimos

Z45511835 | Benzoic acid, 2-[[(4-chloro-3-nitrophenyl)sulfonyl]amino]- | 2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid | 2-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoic acid | EINECS 268-121-3 | s2968 | W68P7TR4ZT | 2-((4-Chloro-3-nitrophenyl)su

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

CTPI-2 is an inhibitor of mitochondrial citrate carrier SLC25A1 with K_D of 3.5 μM. CTPI-2 is a unique regulator of glycolysis that limits the metabolic plasticity of cancer stem cells (CSCs).

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Propriedades do produto

ALogP

2.506

hba_count

3

Contagem HBD

1

Ligação rotativa

5

Nomes e identificadores

Pubchem Sid

504756603

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756603

Sorrisos canónicos

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

IUPAC Name

2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid

InChIKey

NJTHPOSQGFJTDP-UHFFFAOYSA-N

INCHI

1S/C13H9ClN2O6S/c14-10-6-5-8(7-12(10)16(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15H,(H,17,18)

SMILES isoméricas

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Peso molecular

356.74

Reaxy-Rn

14213966

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14213966&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Organosulfonamides Aminosulfonyl compounds Vinylogous amides Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organochlorides Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfanilide - Benzenesulfonamide - Nitrobenzene - Benzoic acid - Benzoic acid or derivatives - Benzenesulfonyl group - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Organosulfonic acid amide - Aryl chloride - Aryl halide - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 71 mg/mL (199.02 mM); Ethanol: 71 mg/mL (199.02 mM); Water: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 71
• DMSO (mM) Solubilidade máxima: 199.024499635589
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 356.740 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 355.987 Da
• Monoisotopic Mass: 355.987 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 558.000
• 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