Camalexin - ≥98% , CAS No.135531-86-1

CAS: 135531-86-1 Cat. No.: C412537 Molecular Weight: 200.26 EC Number: 808-542-7

GRADE & PURITY ≥98%

Synonyms

AS-16652 | Q19903715 | 1H-indole, 3-(2-thiazolyl)- | QY3Z69LA99 | 3-thiazol-2'-yl-indole | 3-(thiazol-2-yl)indole | AKOS030257626 | 3-(Thiazol-2-yl)-1H-indole | SCHEMBL343413 | 2-(1H-indol-3-yl)-1,3-thiazole | 3-(2-Thiazolyl)-1H-indole | HY-119502 | Camal

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Camalexin is a phytoalexin isolated from Camelina sativa (Cruciferae) with antibacterial, antifungal, antiproliferative and anticancer activities. Camalexin can induce reactive oxygen species (ROS) production。

Information

Camalexin Camalexin, a phytoalexin isolated from Camelina sativa and Arabidopsis (Cruciferae), can induce reactive oxygen species (ROS) production. Camalexin has antibacterial, antifungal, antiproliferative and anticancer activities.

Specifications

Synonyms

AS-16652 | Q19903715 | 1H-indole, 3-(2-thiazolyl)- | QY3Z69LA99 | 3-thiazol-2'-yl-indole | 3-(thiazol-2-yl)indole | AKOS030257626 | 3-(Thiazol-2-yl)-1H-indole | SCHEMBL343413 | 2-(1H-indol-3-yl)-1, 3-thiazole | 3-(2-Thiazolyl)-1H-indole | HY-119502 | Camal

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Camalexin, a phytoalexin isolated from Camelina sativa and Arabidopsis (Cruciferae), can induce reactive oxygen species (ROS) production. Camalexin has antibacterial, antifungal, antiproliferative and anticancer activities.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3
• IUPAC Name: 2-(1H-indol-3-yl)-1,3-thiazole
• InChIKey: IYODIJVWGPRBGQ-UHFFFAOYSA-N
• INCHI: 1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3
• WGK Germany: 3
• Molecular Weight: 200.26
• Reaxy-Rn: 4310041
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4310041&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Substituted pyrroles Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Thiazole - Pyrrole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• External Descriptors: an indole-phytolexin

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

Associated Targets(non-human)

Plenodomus lingam (178 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro Ethanol: mg/mL
• Molecular Weight: 200.260 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 200.041 Da
• Monoisotopic Mass: 200.041 Da
• Topological Polar Surface Area: 56.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• 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