680C91 - 10mM in DMSO , CAS No.163239-22-3

CAS: 163239-22-3 Cat. No.: C422004 Peso molecular: 238.26 Número EC: 803-131-9
Disponible para pedir
GRADE & PURITY 10mM in DMSO
Synonyms
MS-23388 | 680C91 | s8997 | 1H-Indole, 6-fluoro-3-[2-(3-pyridinyl)ethenyl]-, (E)-; 6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole | 6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole | 6-fluoro-3-[(E)-2-(pyridin-3-yl)vinyl]-1H-indole | (e)-6-fluoro-3-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
C422004-1ml
2

101,90US$

119,90US$
Guardar 18,00 US$ (15.01%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos
MS-23388 | 680C91 | s8997 | 1H-Indole, 6-fluoro-3-[2-(3-pyridinyl)ethenyl]-, (E)-; 6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole | 6-Fluoro-3-[(1E)-2-(3-pyridinyl)ethenyl]-1H-indole | 6-fluoro-3-[(E)-2-(pyridin-3-yl)vinyl]-1H-indole | (e)-6-fluoro-3-
Especificaciones y pureza
10mM in DMSO
Mecanismos bioquímicos y fisiológicos
Potent, selective, substrate competitive tryptophan 2, 3-dioxygenase inhibitor (K i = 51 nM). Inhibits tryptophan catabolism. Increases brain tryptophan and serotonin levels in vivo. 680C91 is a potent inhibitor of tryptophan 2, 3-dioxygenase (TDO), which d
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Nombres e identificadores
Sonrisas canónicasC1=CC(=CN=C1)C=CC2=CNC3=C2C=CC(=C3)F
IUPAC Name6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
InChIKeyYBSDQTBCNYWBMX-ONEGZZNKSA-N
INCHI1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
Isómeros SMILES C1=CC(=CN=C1)/C=C/C2=CNC3=C2C=CC(=C3)F
Peso molecular 238.26
Reaxy-Rn 30665526
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30665526&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 ParentIndoles
Alternative Parents Substituted pyrroles  Pyridines and derivatives  Benzenoids  Aryl fluorides  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole - Aryl fluoride - Aryl halide - Pyridine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TDO2 Tchem Tryptophan 2,3-dioxygenase (9 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Tdo2 Tryptophan 2,3-dioxygenase (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P815 (244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ido1 Indoleamine 2,3-dioxygenase 1 (313 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:
Propiedades químicas y físicas
Peso molecular238.260 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass238.091 Da
Monoisotopic Mass238.091 Da
Topological Polar Surface Area28.700 Ų
Heavy Atom Count18
Formal Charge0
Complexity305.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
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.