Indol-3-carbinol - Moligand™, ≥96% , Agonist of Aryl hydrocarbon receptor, CAS No.700-06-1, Agonist of Aryl hydrocarbon receptor

CAS: 700-06-1 Cat. No.: I105220 Summenformel: C₉H₉NO Molekulargewicht: 147.17 EG-Nummer: 211-836-2

GRADE & PURITY Moligand™, ≥96%

Synonyms

HMS1789O22 | INDOLE-3-CARBINOL [WHO-DD] | SCHEMBL195520 | KBio3_002949 | NSC525801 | NSC-525801 | s2313 | 1H-Indol-3-Yl-Methanol | A836732 | 3-Indolylmethanol | FXK | HMS3651I18 | BRD-K01815685-001-07-2 | MLS001333161 | NCGC00090701-01 | Spectrum3_001973

Storage

Lagerung bei -20°C, Argon geladen

Shipped In

Eistruhe + Eispads

Übersicht

Indol-3-Carbinol ist ein neuer sekundärer Pflanzenstoff, der in Kreuzblütlern wie Kohl, Blumenkohl und Rosenkohl vorkommt.

Specifications

Synonyme

HMS1789O22 | INDOLE-3-CARBINOL [WHO-DD] | SCHEMBL195520 | KBio3_002949 | NSC525801 | NSC-525801 | s2313 | 1H-Indol-3-Yl-Methanol | A836732 | 3-Indolylmethanol | FXK | HMS3651I18 | BRD-K01815685-001-07-2 | MLS001333161 | NCGC00090701-01 | Spectrum3_001973

Spezifikationen & Reinheit

Moligand™, ≥96%

Biochemische und physiologische Mechanismen

Unterdrückung der Karzinogenese in der Anfangsphase. Es ist erwiesen, dass es das Auftreten von Krebs bei mehreren Tieren hemmen kann, aber es erhöht das Auftreten von Krebs, wenn es in der Phase nach dem Auftreten verabreicht wird. Enthält Kreuzblütlerge

Storage

Lagerung bei -20°C, Argon geladen

Verschickt in

Eistruhe + Eispads

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of Aryl hydrocarbon receptor

Hinweis

Wenn möglich, sollten Sie die Lösungen noch am selben Tag zubereiten und verwenden. Wenn Sie jedoch Stammlösungen im Voraus herstellen müssen, empfehlen wir Ihnen, die Lösung als Aliquote in dicht verschlossenen Fläschchen bei -20 °C zu lagern. Diese sind in der Regel bis zu einem Monat haltbar. Vor der Verwendung und vor dem Öffnen des Fläschchens empfehlen wir, das Produkt mindestens 1 Stunde lang auf Raumtemperatur kommen zu lassen. Benötigen Sie weitere Ratschläge zur Löslichkeit, Verwendung und Handhabung? Besuchen Sie unsere Seite mit den häufig gestellten Fragen (FAQ) für weitere Informationen.

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 504750703
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750703
• Kanonisches Lächeln: C1=CC=C2C(=C1)C(=CN2)CO
• IUPAC Name: 1H-indol-3-ylmethanol
• InChIKey: IVYPNXXAYMYVSP-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
• Isomere SMILES: C1=CC=C2C(=C1)C(=CN2)CO
• RTECS: NL9483000
• Alternative CAS-Nummer: 123334-15-6
• Molekulargewicht: 147.17
• Reaxy-Rn: 121323
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121323&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 Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Aromatic alcohol - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organooxygen 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: 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

Zugehörige Ziele (menschlich)

AHR Tclin Aryl hydrocarbon receptor (1 Activities)

Discover Target: AHR

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

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

U-251 (51189 Activities)

Explore this target

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

HepG2 (196354 Activities)

Explore this target

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

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

GPR84 Tchem G-protein coupled receptor 84 (1284 Activities)

Discover Target: GPR84

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

KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)

Discover Target: KPNB1

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

Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plenodomus lingam (178 Activities)

Explore this target

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Abcb1 Multidrug resistance protein 1 (79 Activities)

Discover Target: Abcb1

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

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)

Discover Target: Slco1a4

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air & Light & Heat Sensitive
• Schmelzpunkt (°C): 96-99°C
• Molekulargewicht: 147.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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

Referenzen

1. Wenxiu Zheng, Wenhao Wang, Desheng Fu, Tianyu Zhang, Zhengrui Liang, Ling Yan, Changhong Liu, Lei Zheng.  (2022)  Microwave bag cooking affects the quality, glucosinolates content and hydrolysate production of broccoli florets.  FOOD RESEARCH INTERNATIONAL,      [PMID:36738020] [10.1016/j.foodres.2022.112401]

2. Wenxiu Zheng, Lin Ren, Wenzhuo Hao, Lei Wang, Changhong Liu, Lei Zheng.  (2022)  Encapsulation of indole-3-carbinol in Pickering emulsions stabilized by OSA-modified high amylose corn starch: Preparation, characterization and storage stability properties.  FOOD CHEMISTRY,      [PMID:35381538] [10.1016/j.foodchem.2022.132846]

3. Jia Cheng Qian, Dan Liu, Li Ping Lin, Wen Jing Zhu, Ren Xiang Tan.  (2022)  Minor bioactive indoles from kimchi mirror the regioselectivity in indole-3-carbinol oligomerization.  FOOD CHEMISTRY,      [PMID:35245758] [10.1016/j.foodchem.2022.132571]

4. Wen Jing Zhu, Li Ping Lin, Dan Liu, Jia Cheng Qian, Bei Bei Zhou, Dan Dan Yuan, Ren Xiang Tan.  (2021)  Pharmacophore-inspired discovery of FLT3 inhibitor from kimchi.  FOOD CHEMISTRY,      [PMID:34062461] [10.1016/j.foodchem.2021.130139]

5. Luyao Yang, Shuangshuang Wang, Jing Jin, Jiahui Wang, Wenyue Chen, Yun Xue, Liang Sheng, Yongning Zhai, Weifeng Yao.  (2024)  Sucralose triggers insulin resistance leading to follicular dysplasia in mice.  REPRODUCTIVE TOXICOLOGY,      [PMID:38880404] [10.1016/j.reprotox.2024.108644]

6. Yi Zheng, Qing-qing Chen, Hai-xiang Guo, Yu-xin Zhang, Ling-ling Qiu, Bing-bing Wang, Song Yu, Jia-rui Gao, Zhe Zhang, Jia-bao Zhang, Guo-shi Liu, Bao Yuan.  (2026)  Melatonin Promotes the Synthesis and Secretion of Growth Hormone in the Adenohypophysis by Activating the cAMP/FOXO1 Pathway.  JOURNAL OF PINEAL RESEARCH,  78  (2): (e70139).  [PMID:41870323] [10.1111/jpi.70139]

7. Mengxi Xiang, Cheng Zhou, Chundong Yao, Jia Liu, Lin Wang, Zheng Wang.  (2026)  A Self-Assembled Irinotecan Nanomedicine Abrogates Steatohepatitis-Induced Liver Metastasis and Potentiates Antitumor Efficacy against Colorectal Cancer.  ACS Nano,      [PMID:42007878] [10.1021/acsnano.6c00855]

8. Tae Ha Kim, Chi Thi Ngoc Nguyen, Dahee Jang, Sae Bom Lee, Yun Jae Cha, Seon Min Kim, Yun Ji Lim, Tae Hwan Choi, Taeryeong Kim, Jae-Young Lee, Eun-Woo Lee, Sung Eun Kim, Tong-Shin Chang, You Jeong Lee, Maria Fedorova, Derek A. Pratt, Marcus Conrad, Sung Won Kwon, Yun Pyo Kang.  (2026)  Resolving the subcellular redox landscape of Coenzyme Q.  Cell Chemical Biology,      [PMID:42532041] [10.1016/j.chembiol.2026.07.001]