Thapsigargin - Moligand™, ≥95% , CAS No.67526-95-8

CAS: 67526-95-8 Cat. No.: T135258 Molecular Weight: 650.75 EC Number: 614-076-3 PubChem CID: 446378

5 Citations COA

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Thapsigargin - Moligand™, ≥95% CAS No(67526-95-8) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥95%

Synonyms

(-)-Thapsigargin | NCGC00162381-06 | Octanoic Acid [3s-[3alpha, 3abeta, 4alpha,6beta, 6abeta, 7beta, 8alpha(Z), 9balpha]]-6-(Acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-Decahydro-3,3a-Dihydroxy-3,6,9-Trimethyl-8-[(2-Methyl-1-Oxo-2-Butenyl)oxy]-2-Oxo-4-(1-Oxobutoxy

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview 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

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Why this grade

Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Thapsigargin is a cell-permeable sesquiterpene lactone found in the roots of Thapsia garganica. It is a tumor promoter and induces the release of intracellular stored Ca2+ without hydrolysis of inositolphospholipids via inhibition of the sarco/endoplasmic reticulum Ca2+-ATPase (SERCA; IC50=30 nM). It may be used to distinguish between discrete intracellular Ca2+ pools. Thapsigargin-induced tumor promotion and down regulation of the EGF receptor is independent of protein kinase C activation.
An inducer of stored Ca2+ release.

Specifications

Synonyms

(-)-Thapsigargin | NCGC00162381-06 | Octanoic Acid [3s-[3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha(Z), 9balpha]]-6-(Acetyloxy)-2, 3, -3a, 4, 5, 6, 6a, 7, 8, 9b-Decahydro-3, 3a-Dihydroxy-3, 6, 9-Trimethyl-8-[(2-Methyl-1-Oxo-2-Butenyl)oxy]-2-Oxo-4-(1-Oxobutoxy

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

Potent, cell-permeable, IP3-independent intracellular calcium releaser. Blocks the transient increase in intracellular Ca2+ induced by angiostatin and endostatin. Induces apoptosis by disrupting intracellular free Ca2+ levels; incorporated into chemothera

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

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

≥95%

Names and Identifiers

Canonical Smiles	CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O
IUPAC Name	[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
InChIKey	IXFPJGBNCFXKPI-FSIHEZPISA-N
INCHI	1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1
Isomeric SMILES	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
WGK Germany	3
PubChem CID	446378
Molecular Weight	650.75

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 Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Pentacarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Pentacarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pentacarboxylic acids and derivatives
Alternative Parents	Fatty acid esters Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Enoate esters Cyclic alcohols and derivatives 1,2-diols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Pentacarboxylic acid or derivatives - Fatty acid ester - Gamma butyrolactone - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - 1,2-diol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
External Descriptors	Guaiane sesquiterpenoids
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)

ATP2A1 Tchem Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (1 Activities)

Discover Target: ATP2A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

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

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

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

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

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

ATP2A1 Tchem Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (55 Activities)

Discover Target: ATP2A1

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

5637 (630 Activities)

Lot Number	Certificate Type	Date	Item
I2021076	Certificate of Analysis	Feb 05, 2026	T135258
H2330579	Certificate of Analysis	Jun 10, 2025	T135258
H2330580	Certificate of Analysis	Jun 10, 2025	T135258
L2403115	Certificate of Analysis	Dec 09, 2024	T135258
K2113553	Certificate of Analysis	Aug 18, 2023	T135258
I2021077	Certificate of Analysis	Aug 05, 2022	T135258
A2309412	Certificate of Analysis	Sep 29, 2021	T135258
K2113551	Certificate of Analysis	Sep 29, 2021	T135258
K2113552	Certificate of Analysis	Sep 29, 2021	T135258
L2403116	Certificate of Analysis	Sep 29, 2021	T135258

Solubility	Soluble in DMSO (20 mg/ml), ethanol (20 mg/ml), and acetone
Sensitivity	Light sensitive;Moisture sensitive
Molecular Weight	650.800 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	17
Exact Mass	650.33 Da
Monoisotopic Mass	650.33 Da
Topological Polar Surface Area	172.000 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1270.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Thapsigargin - Moligand™, ≥95% , CAS No.67526-95-8

Why this grade

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

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