Brassinin - ≥96% , CAS No.105748-59-2

CAS: 105748-59-2 Cat. No.: B591274 Fórmula: C11H12N2S2 Peso molecular: 236.36
Disponible para pedir
GRADE & PURITY ≥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
★
Size
Alemania (EU)
USA*
Price
Qty
5mg
B591274-5mg
—
3 Disponible

99,70€

117,06€
Guardar 17,35 € (14.83%)
25mg
B591274-25mg
—
3 Disponible

322,71€

377,38€
Guardar 54,67 € (14.49%)
100mg
B591274-100mg
—
2 Disponible

917,98€

1.071,57€
Guardar 153,59 € (14.33%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

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.

Specifications

Sinónimos
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
Especificaciones y pureza
≥96%
Mecanismos bioquímicos y fisiológicos
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
Condiciones de almacenamiento de almacenamiento
Store at -20°C,Argon charged
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nota
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.
Pureza
≥96%
Nombres e identificadores
Pubchem Sid528775141
Sonrisas canónicasCSC(=S)NCC1=CNC2=CC=CC=C21
IUPAC Namemethyl N-(1H-indol-3-ylmethyl)carbamodithioate
InChIKeyQYKQWFZDEDFELK-UHFFFAOYSA-N
INCHI1S/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)
Isómeros SMILES CSC(=S)NCC1=CNC2=CC=CC=C21
Peso molecular 236.36
Reaxy-Rn 3611293
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3611293&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseIndoles and derivatives
SubclassIndoles
Intermediate Tree Nodes Not available
Direct Parent3-alkylindoles
Alternative Parents Substituted pyrroles  Benzenoids  Heteroaromatic compounds  Dithiocarbamic acid esters  Sulfenyl compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A-431 (6446 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Plenodomus lingam (178 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sclerotinia sclerotiorum (877 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeFechaArticulo
E2628156Certificate of AnalysisJun 04, 2026 B591274
F2316406Certificate of AnalysisMar 04, 2025 B591274
F2316408Certificate of AnalysisMar 04, 2025 B591274
F2316409Certificate of AnalysisMar 04, 2025 B591274
Propiedades químicas y físicas
SolubilidadDMSO: 20 mg/mL, clear
Sensibilidadair sensitive
Peso molecular236.400 g/mol
XLogP32.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass236.044 Da
Monoisotopic Mass236.044 Da
Topological Polar Surface Area85.200 Ų
Heavy Atom Count15
Formal Charge0
Complexity233.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

Reseñas de cliente

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.