Microtubule-stabilizing agent. Epothilone A and B analog. Improves microtubule density and axonal integrity Shows antineoplastic and neuroprotective effects in vivo. Blood-brain barrier permeable.

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.

Action Type

STABILISER

Mechanism of action

Tubulin stabiliser

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Product Properties

ALogP	5

Names and Identifiers

Pubchem Sid	504758870
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758870
Canonical Smiles	CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)C
IUPAC Name	(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
InChIKey	XOZIUKBZLSUILX-GIQCAXHBSA-N
INCHI	1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
Isomeric SMILES	C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C
Molecular Weight	491.68
Reaxy-Rn	25203628
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25203628&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Macrolides and analogues
    - Subclass Epothilones and analogues

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Macrolides and analogues
Subclass	Epothilones and analogues
Intermediate Tree Nodes	Not available
Direct Parent	Epothilones and analogues
Alternative Parents	2,4-disubstituted thiazoles Heteroaromatic compounds Secondary alcohols Lactones Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Epothilone - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as epothilones and analogues. These are macrolides consisting of a 16-member lactone ring conjugated at the carbon 16 with a 1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group. Some epothilone analogues containing a lactam ring instead of the lactone ring.
External Descriptors	Macrolides and lactone polyketides
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)

ACHN (49357 Activities)

Lot Number	Certificate Type	Date	Item
J2523118	Certificate of Analysis	Nov 13, 2023	E189063
K2328310	Certificate of Analysis	Nov 13, 2023	E189063
K2328311	Certificate of Analysis	Nov 13, 2023	E189063
K2328312	Certificate of Analysis	Nov 13, 2023	E189063
K2328313	Certificate of Analysis	Nov 13, 2023	E189063
K2328314	Certificate of Analysis	Nov 13, 2023	E189063
K2328315	Certificate of Analysis	Nov 13, 2023	E189063
K2328316	Certificate of Analysis	Nov 13, 2023	E189063
K2328317	Certificate of Analysis	Nov 13, 2023	E189063
L2522133	Certificate of Analysis	Nov 13, 2023	E189063

Molecular Weight	491.700 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	491.271 Da
Monoisotopic Mass	491.271 Da
Topological Polar Surface Area	125.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	777.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

Epothilone D - ≥98% , Tubulin stabiliser, CAS No.189453-10-9, Tubulin stabiliser

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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