COH-29 - 10mM in DMSO , CAS No.1190932-38-7

CAS: 1190932-38-7 Cat. No.: C420844 Formule: C₂₂H₁₆N₂O₅S Poids moléculaire: 420.44

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

MFCD28502212 | AC-35785 | BS-14458 | COH29 | COH-29 | N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide | UNII-07802BU06S | AKOS032944935 | HY-19931 | SCHEMBL10036527 | 07802BU06S | SY326705 | SB17258 | COH 29; COH-29 | Rnr inhi

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

COH-29 COH29 (RNR Inhibitor COH29) is a potent inhibitor of ribonucleotide reductase (RNR) with anticancer activity. COH29 (RNR Inhibitor COH29) inhibits recombinant RNR small subunit (RRM1/RRM2) activity in vitro with IC50 of 16 μM.

Targets

RNR (Cell-free assay) 16 μM

Spécifications

Synonymes

MFCD28502212 | AC-35785 | BS-14458 | COH29 | COH-29 | N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide | UNII-07802BU06S | AKOS032944935 | HY-19931 | SCHEMBL10036527 | 07802BU06S | SY326705 | SB17258 | COH 29; COH-29 | Rnr inhi

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

COH29 (RNR Inhibitor COH29) is a potent inhibitor of ribonucleotide reductase (RNR) with anticancer activity. COH29 (RNR Inhibitor COH29) inhibits recombinant RNR small subunit (RRM1/RRM2) activity in vitro with IC50 of 16 μM.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Type d'action

INHIBITOR

Propriétés du produit

ALogP

4.4

hba_count

2

Nombre de HBD

5

Liaison rotative

4

Noms et identifiants

Pubchem Sid

528763792

Sourires canoniques

C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O

IUPAC Name

N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide

InChIKey

LGGDLPSXAGQFSG-UHFFFAOYSA-N

INCHI

1S/C22H16N2O5S/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14/h1-11,25-28H,(H,23,24,29)

Isomères SMILES

C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O

Poids moléculaire

420.44

Reaxy-Rn

19542631

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19542631&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Catechols Benzoyl derivatives 2,4,5-trisubstituted thiazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

• DMSO (mg/mL) Solubilité maximale: 40
• DMSO (mM) Solubilité maximale: 95.1384264104272
• Eau (mg/mL) Solubilité maximale: 60
• Eau (mM) Solubilité maximale: 142.707639615641
• Poids moléculaire: 420.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 420.078 Da
• Monoisotopic Mass: 420.078 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 590.000
• 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