CTPI-2 - ≥98% , CAS No.68003-38-3

CAS: 68003-38-3 Cat. No.: C412834 Formule: C₁₃H₉ClN₂O₆S Poids moléculaire: 356.74 Numéro CE: 268-121-3

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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)

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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).

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Propriétés du produit

ALogP

2.506

hba_count

3

Nombre de HBD

1

Liaison rotative

5

Noms et identifiants

Pubchem Sid

504756603

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 71 mg/mL (199.02 mM); Ethanol: 71 mg/mL (199.02 mM); Water: Insoluble
• DMSO (mg/mL) Solubilité maximale: 71
• DMSO (mM) Solubilité maximale: 199.024499635589
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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