DL-Sulforaphane - Moligand™, ≥70% , CAS No.4478-93-7

Name: DL-Sulforaphane - Moligand™, ≥70% , CAS No.4478-93-7
SKU: S140384
Availability: InStock

CAS: 4478-93-7 Cat. No.: S140384 Formule: C₆H₁₁NOS₂ Poids moléculaire: 177.29 Numéro CE: 878-934-0

14 Citations COA

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DL-Sulforaphane - Moligand™, ≥70% CAS No(4478-93-7) by Aladdin Scientific

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DISPONIBLE À COMMANDE

GRADE & PURITY Moligand™ ? ≥70%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques FAQ et articles Citations of This Product Calculateurs de solution Avis

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Why this grade

Moligand™, ≥70% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

Cited in 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

A potent, selective inducer of phase II detoxification enzymes with anticarcinogenic properties. Occurs naturally in broccoli and was found to inhibit chemically induced mammary tumor formation in rats. Antitumor agent.
Selective inducer of phase II detoxification enzymes with anticarcinogenic properties. Organosulfur compound found in cruciferous vegetables, including broccoli.

Specifications

Synonymes

Spécifications et pureté

Moligand™, ≥70%

Mécanismes biochimiques et physiologiques

An inducer of phase II detoxification enzymes.Potent, non-competitive antagonist of the aryl hydrocarbon (Ah) receptor (IC 50 = 1 μM). Isothiocyanate. Induces epoxide hydrolase. Anticarcinogenic. Active i n vivo and in vitro .

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Grade

Moligand™

Note

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.

Pureté

≥70%

Noms et identifiants

Pubchem Sid

528775544

Sourires canoniques

CS(=O)CCCCN=C=S

IUPAC Name

1-isothiocyanato-4-methylsulfinylbutane

InChIKey

SUVMJBTUFCVSAD-UHFFFAOYSA-N

INCHI

1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3

Isomères SMILES

CS(=O)CCCCN=C=S

WGK Allemagne

Poids moléculaire

177.29

Reaxy-Rn

1723237

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723237&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

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Classe Sulfoxides

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Classe	Sulfoxides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Sulfoxides
Alternative Parents	Isothiocyanates Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Sulfoxide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).
External Descriptors	sulfoxide - isothiocyanate
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

Structure 3D

Cibles associées (humaines)

NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 (2 Activities)

Discover Target: NFE2L2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

MIF Tchem Macrophage migration inhibitory factor (979 Activities)

Discover Target: MIF

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

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

Discover Target: CYP1A1

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

PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)

Discover Target: PTPN11

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

TGM2 Tchem Protein-glutamine gamma-glutamyltransferase (1221 Activities)

Discover Target: TGM2

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

NQO1 Tchem Quinone reductase 1 (1746 Activities)

Discover Target: NQO1

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	Date	Article
A2626147	Certificate of Analysis	Feb 04, 2026	S140384
J2524209	Certificate of Analysis	Nov 08, 2025	S140384
H2112286	Certificate of Analysis	May 12, 2025	S140384
H2112296	Certificate of Analysis	May 12, 2025	S140384
H2112297	Certificate of Analysis	May 12, 2025	S140384
I1814099	Certificate of Analysis	Jul 18, 2022	S140384
L2410143	Certificate of Analysis	May 20, 2021	S140384

Solubilité	Soluble in Chloroform, Dichloromethane, Diethyl Ether, methanol and DMSO, Soluble in Chloroform, Dichloromethane, Diethyl Ether, methanol and DMSO
Poids moléculaire	177.300 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	177.028 Da
Monoisotopic Mass	177.028 Da
Topological Polar Surface Area	80.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	152.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

DL-Sulforaphane - Moligand™, ≥70% , CAS No.4478-93-7

Storage & shipping

Quality documents

Literature proof

Vue d’ensemble

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Avis des clients

📚 Citations by Application

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