TMC353121 - ≥98% , CAS No.857066-90-1

CAS: 857066-90-1 Cat. No.: T127427 Molecular Weight: 558.71 PubChem CID: 11249932
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
F84821 | TM-3 | CID 11249932 | 2-[[6-[[[2-(3-Hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol | HY-11097 | UNII-538EBT31Z1 | 3-PYRIDINOL, 2-((6-(((2-(3-HYDROXYPROPYL)-5-METHYLPHE
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
T127427-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$239.90
10mg
T127427-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$399.90
25mg
T127427-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$779.90
50mg
T127427-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,239.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
F84821 | TM-3 | CID 11249932 | 2-[[6-[[[2-(3-Hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol | HY-11097 | UNII-538EBT31Z1 | 3-PYRIDINOL, 2-((6-(((2-(3-HYDROXYPROPYL)-5-METHYLPHE
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms

TMC353121, a potent RSV fusion inhibitor in vitro, Antiviral agents and a novel candidate for RSV disease treatment.

Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=CC(=C(C=C1)CCCO)NCC2=CC3=C(C=C2)N=C(N3CC4=C(C=CC(=N4)C)O)NCCCN5CCOCC5
IUPAC Name2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
InChIKeyDKORMNNYNRPTBJ-UHFFFAOYSA-N
INCHI1S/C32H42N6O3/c1-23-6-9-26(5-3-16-39)28(19-23)34-21-25-8-10-27-30(20-25)38(22-29-31(40)11-7-24(2)35-29)32(36-27)33-12-4-13-37-14-17-41-18-15-37/h6-11,19-20,34,39-40H,3-5,12-18,21-22H2,1-2H3,(H,33,36)
Isomeric SMILES CC1=CC(=C(C=C1)CCCO)NCC2=CC3=C(C=C2)N=C(N3CC4=C(C=CC(=N4)C)O)NCCCN5CCOCC5
PubChem CID 11249932
Molecular Weight 558.71

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
ClassBenzimidazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzimidazoles
Alternative Parents Aminotoluenes  Aniline and substituted anilines  Phenylalkylamines  Secondary alkylarylamines  Hydroxypyridines  Methylpyridines  Morpholines  Aminoimidazoles  N-substituted imidazoles  Heteroaromatic compounds  Trialkylamines  Dialkyl ethers  Azacyclic compounds  Oxacyclic compounds  Hydrocarbon derivatives  Primary alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzimidazole - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Methylpyridine - Hydroxypyridine - Aminoimidazole - Benzenoid - Morpholine - N-substituted imidazole - Oxazinane - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Azacycle - Oxacycle - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Alcohol - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Respiratory syncytial virus (3434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lung (9 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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
Molecular Weight558.700 g/mol
XLogP34.200
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass558.332 Da
Monoisotopic Mass558.332 Da
Topological Polar Surface Area108.000 Ų
Heavy Atom Count41
Formal Charge0
Complexity757.000
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
Citations of This Product
References
1. Xiao Shujuan, Lu Xiaohui, Liu Hui, Gu Jiantao, Yu Shouwu, Tan Xiaoyao.  (2022)  High-flux nanofiltration membrane with modified highly dispersed MOF particles as nano filler.  WATER SCIENCE AND TECHNOLOGY,  86  (10): (2642-2657).  [PMID:] [10.2166/wst.2022.357]
Solution Calculators
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