Brassinin - ≥96% , CAS No.105748-59-2

CAS: 105748-59-2 Cat. No.: B591274 Summenformel: C₁₁H₁₂N₂S₂ Molekulargewicht: 236.36

QUALITÄT & REINHEIT ≥96%

Synonyms

Carbamodithioic acid, (1H-indol-3-ylmethyl)-, methyl ester | DTXSID30909714 | SCHEMBL849773 | N-(1H-indol-3-ylmethyl)(methylsulfanyl)carbothioamide | CARBAMODITHIOIC ACID, N-(1H-INDOL-3-YLMETHYL)-, METHYL ESTER | CCRIS 7485 | Brassinin, >=98% (HPLC) | Bra

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Brassinin is a phytoalexin found in Chinese cabbage. An effective inhibitor of stage two skin carcinogenesis. Brassinin is an inducer of Phase II enzymes and inhibitor of chemically induced carcinogenesis.
An effective inhibitor against two stage skin carcinogenesis. An inducer of Phase II enzymes and inhibitor of chemically induced carcinogenesis.

Spezifikationen

Synonyme

Carbamodithioic acid, (1H-indol-3-ylmethyl)-, methyl ester | DTXSID30909714 | SCHEMBL849773 | N-(1H-indol-3-ylmethyl)(methylsulfanyl)carbothioamide | CARBAMODITHIOIC ACID, N-(1H-INDOL-3-YLMETHYL)-, METHYL ESTER | CCRIS 7485 | Brassinin, >=98% (HPLC) | Bra

Spezifikationen & Reinheit

≥96%

Biochemische und physiologische Mechanismen

rassinin is a phytoalexin isolated from cruciferous vegetables that exhibits anticancer, chemopreventive, antiproliferative and antifungal activities. In lung cancer cells, brassinin inhibits constitutive and IL-6-inducible STAT3 signaling through modulat

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

528775141

Kanonisches Lächeln

CSC(=S)NCC1=CNC2=CC=CC=C21

IUPAC Name

methyl N-(1H-indol-3-ylmethyl)carbamodithioate

InChIKey

QYKQWFZDEDFELK-UHFFFAOYSA-N

INCHI

1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)

Isomere SMILES

CSC(=S)NCC1=CNC2=CC=CC=C21

Molekulargewicht

236.36

Reaxy-Rn

3611293

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3611293&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Dithiocarbamic acid esters Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Dithiocarbamic acid ester - Pyrrole - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• External Descriptors: dithiocarbamic ester - indole phytoalexin

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

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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CCRF-CEM (65223 Activities)

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K562 (73714 Activities)

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MCF7 (126967 Activities)

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A549 (127892 Activities)

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A-431 (6446 Activities)

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Jurkat (10389 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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Plenodomus lingam (178 Activities)

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BCHE Cholinesterase (8742 Activities)

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Sclerotinia sclerotiorum (877 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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FTL Ferritin light chain (43324 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO: 20 mg/mL, clear
• Empfindlichkeit: air sensitive
• Molekulargewicht: 236.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 236.044 Da
• Monoisotopic Mass: 236.044 Da
• Topological Polar Surface Area: 85.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 233.000
• 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