selgantolimod - Moligand™ , Toll-like receptor 8 agonist, CAS No.2004677-13-6, Toll-like receptor 8 agonist

CAS: 2004677-13-6 Cat. No.: S613525 Formula: C14H20FN5O Peso molecolare: 293.34 Numero EC: 887-642-2 PubChem CID: 122585078
Disponibile su ordine
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
Selgantolimod | MS-24196 | SCHEMBL18109405 | (R)-2-((2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino)-2-methylhexan-1-ol | D11871 | GS9688 | 2004677-13-6 | compound (R)-7 [PMID: 32407112] | EX-A4247 | CHEMBL4594258 | GS-9688 | HY-109137 | GTPL10889 | Se
Storage
Room temperature
★
Size
Germania (EU)
USA*
Price
Qty
5mg
S613525-5mg
Su ordinazione · 8–12 settimane
694,10€
25mg
S613525-25mg
Su ordinazione · 8–12 settimane
1.488,09€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
Selgantolimod | MS-24196 | SCHEMBL18109405 | (R)-2-((2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino)-2-methylhexan-1-ol | D11871 | GS9688 | 2004677-13-6 | compound (R)-7 [PMID: 32407112] | EX-A4247 | CHEMBL4594258 | GS-9688 | HY-109137 | GTPL10889 | Se
Specifiche e purezza
Moligand™
Condizioni di conservazione di stoccaggio
Room temperature
Grado
Moligand™
Tipo di azione
AGONIST
Meccanismo d'azione
Toll-like receptor 8 agonist
Proprietà del prodotto
ALogP2
Nomi e identificatori
Sorrisi canoniciCCCCC(C)(CO)NC1=NC(=NC2=C1N=CC(=C2)F)N
IUPAC Name(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
InChIKeyHTCJUBZBSJQWBW-CQSZACIVSA-N
INCHI1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1
Isomeri SMILES CCCC[C@](C)(CO)NC1=NC(=NC2=C1N=CC(=C2)F)N
PubChem CID 122585078
Termini MeSH (R)-2-((2-amino-7-fluoropyrido(3,2-d)pyrimidin-4-yl)amino)-2-methylhexan-1-ol;GS-9688;selgantolimod
Peso molecolare 293.34

Documentazione

📋 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
ClassePyridopyrimidines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyridopyrimidines
Alternative Parents Secondary alkylarylamines  Aminopyrimidines and derivatives  Pyridines and derivatives  Imidolactams  Aryl fluorides  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Primary alcohols  Organopnictogen compounds  Organofluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyridopyrimidine - Secondary aliphatic/aromatic amine - Aminopyrimidine - Imidolactam - Pyrimidine - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
TLR8 Tchem Toll-like receptor 8 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MT4 (17854 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TLR4 Tchem Toll-like receptor 4 (970 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TLR2 Tchem Toll-like receptor 2 (975 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TLR8 Tchem Toll-like receptor 8 (1853 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TLR3 Tbio Toll-like receptor 3 (331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NOD1 Tchem Nucleotide-binding oligomerization domain-containing protein 1 (1322 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NOD2 Tclin Nucleotide-binding oligomerization domain-containing protein 2 (1613 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TLR5 Tchem Toll-like receptor 5 (190 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLAAT4 Tchem Phospholipase A and acyltransferase 4 (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
Hepatitis B virus (7925 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Tlr7 Toll-like receptor 7 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Tlr9 Toll-like receptor 9 (360 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Clec7a C-type lectin domain family 7 member A (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Clec4e C-type lectin domain family 4 member E (100 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare293.340 g/mol
XLogP32.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass293.165 Da
Monoisotopic Mass293.165 Da
Topological Polar Surface Area97.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity334.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Domande frequenti e articoli
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 2004677-13-6, the molecular formula is C14H20FN5O, and the molecular weight is 293.34 g/mol. InChIKey HTCJUBZBSJQWBW-CQSZACIVSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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