CTPI-2 - 10mM in DMSO , CAS No.68003-38-3

CAS: 68003-38-3 Cat. No.: C425415 Summenformel: C₁₃H₉ClN₂O₆S Molekulargewicht: 356.74 EG-Nummer: 268-121-3

QUALITÄT & REINHEIT 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

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)

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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).

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Produkteigenschaften

ALogP

2.506

hba_count

3

HBD-Zahl

1

Rotationsfähige Bindung

5

Namen und Kennungen

Kanonisches Lächeln

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)

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 71
• DMSO (mM) Maximale Löslichkeit: 199.024499635589
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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