Tiamulin - 10mM in DMSO , CAS No.55297-95-5

CAS: 55297-95-5 Cat. No.: T424711 Molecular Weight: 493.74 EC Number: 259-580-0 PubChem CID: 656958

6 Citations COA

Skip to the end of the images gallery

Tiamulin - 10mM in DMSO CAS No(55297-95-5) by Aladdin Scientific

Skip to the beginning of the images gallery

AVAILABLE TO ORDER

GRADE & PURITY 10mM in DMSO

Synonyms

((2-(Diethylamino)Ethyl)Thio)-, 6-Ethenyldecahydro-5-Hydroxy-4,6,9,10-Tetramethyl-1-Oxo-3a,9-Propano-3aH-Cyclopentacycloocten-8-yl Ester (3aS-(3a-Alpha,4Beta,5Alpha,6Alpha,8Beta,9Alpha,9a-Beta,10S*))- | ((2-(Diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product References Solution Calculators Reviews

🧪

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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

((2-(Diethylamino)Ethyl)Thio)-, 6-Ethenyldecahydro-5-Hydroxy-4, 6, 9, 10-Tetramethyl-1-Oxo-3a, 9-Propano-3aH-Cyclopentacycloocten-8-yl Ester (3aS-(3a-Alpha, 4Beta, 5Alpha, 6Alpha, 8Beta, 9Alpha, 9a-Beta, 10S*))- | ((2-(Diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5

Specifications & Purity

10mM in DMSO

Storage

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.

Names and Identifiers

Canonical Smiles	CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C
IUPAC Name	[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate
InChIKey	UURAUHCOJAIIRQ-QGLSALSOSA-N
INCHI	1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1
Isomeric SMILES	CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C
PubChem CID	656958
Molecular Weight	493.74

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

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Diterpenoids
      - Level5 Mutilane diterpenoids
        Level6 Mutilin derivatives
        Level7 Pleuromutilin and derivatives

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Diterpenoids
Intermediate Tree Nodes	Mutilane diterpenoids - Mutilin derivatives
Direct Parent	Pleuromutilin and derivatives
Alternative Parents	Trialkylamines Secondary alcohols Ketones Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Pleuromutilin - Amino acid or derivatives - Carboxylic acid ester - Ketone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Dialkylthioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as pleuromutilin and derivatives. These are mutilins with a hydroxyacetate derivative attached to the C8 carbon atom of the cyclopenta[8]annulene moiety.
External Descriptors	cyclic ketone - tertiary amino compound - carboxylic ester - secondary alcohol - organic sulfide - semisynthetic derivative - carbotricyclic compound - tetracyclic diterpenoid
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

3D Structure

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

HT-29 (80576 Activities)

Molecular Weight	493.700 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	493.323 Da
Monoisotopic Mass	493.323 Da
Topological Polar Surface Area	92.100 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	770.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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

1. Shun Wang, Xiaodi Jin, Hao Chen, Mingdong Han, Jiaxin Bao, Dong Niu, Yikang Wang, Rui Li, Zhiyong Wu, Jichang Li. (2023) Quercetin alleviates Mycoplasma gallisepticum-induced inflammatory damage and oxidative stress through inhibition of TLR2/MyD88/NF-κB pathway in vivo and in vitro. MICROBIAL PATHOGENESIS, [PMID:36746315] [10.1016/j.micpath.2023.106006]
2. Xixi Chen, Wanyi Fu, Yulong Yang, Yanjun Li, Kai Yang, Xuanbo Xu, Xihui Zhang. (2023) Essential role of atomic H* in activating hydrogen peroxide to produce singlet oxygen for emerging organic contaminants degradation. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2023.109442]
3. Xixi Chen, Wanyi Fu, Zhichao Yang, Yulong Yang, Yanjun Li, Hui Huang, Xihui Zhang, Bingcai Pan. (2023) Enhanced H2O2 utilization efficiency in Fenton-like system for degradation of emerging contaminants: Oxygen vacancy-mediated activation of O2. WATER RESEARCH, [PMID:36603306] [10.1016/j.watres.2022.119562]
4. Li Chen, Tahir Maqbool, Ghazanfar Nazir, Congyu Hou, Yanna Xu, Yulong Yang, Xihui Zhang. (2022) Peroxymonosulfate activated by composite ceramic membrane for the removal of pharmaceuticals and personal care products (PPCPs) mixture: Insights of catalytic and noncatalytic oxidation. WATER RESEARCH, [PMID:36470049] [10.1016/j.watres.2022.119444]
5. Shuyun Bi, Xu Li, Zhixin Ren, Bin Yang, Yuting Wang, Fengming Zhang, Yue Yuan, Di Shao, Rui Zhao. (2022) Exploring the intercalation binding of tiamulin with DNA using multispectroscopy and a molecular modelling approach. LUMINESCENCE, 37 (8): (1275-1283). [PMID:35614531] [10.1002/bio.4293]
6. Panpan Gai, Chengcheng Gu, Ting Hou, Feng Li. (2017) Ultrasensitive Self-Powered Aptasensor Based on Enzyme Biofuel Cell and DNA Bioconjugate: A Facile and Powerful Tool for Antibiotic Residue Detection. ANALYTICAL CHEMISTRY, [PMID:28208296] [10.1021/acs.analchem.6b05109]