3,3′-Diindolylmethane - Moligand™, ≥98%(HPLC) , Allosteric modulator of GPR84, CAS No.1968-05-4, Allosteric modulator of GPR84

Name: 3,3′-Diindolylmethane - Moligand™, ≥98%(HPLC) , Allosteric modulator of GPR84, CAS No.1968-05-4, Allosteric modulator of GPR84
SKU: D129118
Availability: InStock

CAS: 1968-05-4 Cat. No.: D129118 Formula: C₁₇H₁₄N₂ Molecular Weight: 246.31 EC Number: 606-355-3

3 Citations COA

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3,3′-Diindolylmethane - Moligand™, ≥98%(HPLC) CAS No(1968-05-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥98%(HPLC)

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product Solution Calculators Reviews Frequently Asked Questions

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Why this grade

Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

3,3'-Diindolylmethane is an anticancer and antineoplastic agent. 3,3'-Diindolylmethane induces apoptosis in human cancer cells. 3,3'-Diindolylmethane is also an activator of CYP (cytochrome P450) and Chk2 (checkpoint kinase 2) as well as a partial agonist of aryl hydrocarbon receptor (Ah Receptor). The compound is a dimer of indole-3-carbinol.
An antineoplastic agent that activates Chk 2 and cytochrome p450

Specifications

Synonyms

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Acid-catalyzed reaction product of a phytochemical naturally found in Brassicaceae, indole-3-carbinol.It functions as an antitumor agent. This derivative can both directly stimulate apoptosis at relatively high concentrations and sensitize TRAIL-induced a

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of GPR84

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.

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

504750633

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750633

Canonical Smiles

C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43

IUPAC Name

3-(1H-indol-3-ylmethyl)-1H-indole

InChIKey

VFTRKSBEFQDZKX-UHFFFAOYSA-N

INCHI

1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43

WGK Germany

Molecular Weight

246.31

Reaxy-Rn

223072

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=223072&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 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	3-alkylindoles
Alternative Parents	Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-alkylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - 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 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors	an indole-phytolexin
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

3D Structure

Associated Targets(Human)

GPR84 Tchem G-protein coupled receptor 84 (0 Activities)

Discover Target: GPR84

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

TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

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

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
K1410090	Certificate of Analysis	Apr 15, 2026	D129118
A2205051	Certificate of Analysis	Oct 13, 2025	D129118
I2116066	Certificate of Analysis	Jun 11, 2025	D129118
D2608057	Certificate of Analysis	Mar 01, 2022	D129118
E2203205	Certificate of Analysis	Mar 01, 2022	D129118
E2203219	Certificate of Analysis	Mar 01, 2022	D129118
E2203222	Certificate of Analysis	Mar 01, 2022	D129118
E2619068	Certificate of Analysis	Mar 01, 2022	D129118
L2412182	Certificate of Analysis	Mar 01, 2022	D129118

Solubility	Soluble in DMSO (200 mg/ml), ethanol (50 mM), chloroform, and methanol. Insoluble in water., Soluble in DMSO (200 mg/ml), ethanol (50 mM), chloroform, and methanol. Insoluble in water.
Melt Point(°C)	165.0-171.0°C
Molecular Weight	246.310 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	246.116 Da
Monoisotopic Mass	246.116 Da
Topological Polar Surface Area	31.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	286.000
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

3,3′-Diindolylmethane - Moligand™, ≥98%(HPLC) , Allosteric modulator of GPR84, CAS No.1968-05-4, Allosteric modulator of GPR84

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

Frequently Asked Questions

📚 Citations by Application

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