TLR7/8/9-IN-1 - ≥99% , CAS No.2180127-82-4

CAS: 2180127-82-4 Cat. No.: T646365 Molecular Weight: 435.60 PubChem CID: 134230357
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Storage
Protected from light,Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
T646365-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$640.90
10mg
T646365-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,020.90
25mg
T646365-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,100.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,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.

Overview

TLR7/8/9-IN-1 is a potent and orally bioavailable small molecule antagonist ( IC 50 = 43 nM) of Toll-like receptors 7/8/9 (TLR7/8/9) .

Form:Solid

Specifications

Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
TLR7/8/9-IN-1 is a potent and orally bioavailable small molecule antagonist ( IC 50 = 43 nM) of Toll-like receptors 7/8/9 (TLR7/8/9) .
Storage
Protected from light, Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(C)C1=C(NC2=C1C=C(C=C2)C3CCN(CC3)CCNC)C4=CC(=C(C=C4)OC)OC
IUPAC Name2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
InChIKeyUKYUETHIPBXYBQ-UHFFFAOYSA-N
INCHI1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3
Isomeric SMILES CC(C)C1=C(NC2=C1C=C(C=C2)C3CCN(CC3)CCNC)C4=CC(=C(C=C4)OC)OC
PubChem CID 134230357
Molecular Weight 435.60

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

3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TLR8 Tchem Toll-like receptor 8 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TLR9 Tclin Toll-like receptor 9 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TLR7 Tclin Toll-like receptor 7 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TLR4 Tchem Toll-like receptor 4 (970 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TLR8 Tchem Toll-like receptor 8 (1853 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 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
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 83.33 mg/mL (191.30 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight435.600 g/mol
XLogP34.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass435.289 Da
Monoisotopic Mass435.289 Da
Topological Polar Surface Area49.500 Ų
Heavy Atom Count32
Formal Charge0
Complexity565.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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