Thapsigargin | CAS No. 67526-95-8

Thapsigargin

Basic Information

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CAS Number

67526-95-8

Molecular Formula

C34H50O12

Molecular Weight

650.76 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

597.77°C (rough estimate)

Density

1.23±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (6.1E-3 g/L) (25 ºC),

Refractive Index

1.6390 (estimate)

SMILES

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CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(=CC)C)C(=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCC)C

InChI

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/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1

InChIKey

IXFPJGBNCFXKPI-LGJGSQFISA-N

LogP

3.9279000000000037

Topological Polar Surface Area

171.96 Å²

Hydrogen Bond Donor/Acceptor

2 / 12

Complexity

1270

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

Thapsigargin
THAPSIGARGIN(RG)
Thapsigargin,(3S,3aR,4S,6S,6AR,7S,8S,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-
Pamoic acid disodium salt
rcrawastenumberu217
sesquiterpene lactone
sesquiterpene lactone tetraester
Thallium mononitrate
THALLIUM NITRATE
thallous
THALLOUS NITRATE
thallous nitrate TlNO3,orthorhombic
Thapsigargin,(3S,3aR,4S,6S,6AR,7S,8S,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yloctanoate
CHEBI:9516
CHEMBL96926
UNII-Z96BQ26RZD
Z96BQ26RZD
[(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
Azuleno[4,5-b]furan octanoic acid deriv.
(-)-Thapsigargin
MFCD00083511

MDL Number

MFCD00083511

FAQ

What is Thapsigargin (CAS: 67526-95-8)?

Thapsigargin is a naturally occurring diterpene that acts as a potent and selective inhibitor of the endoplasmic reticulum calcium ATPase (ER-CAATPase), affecting cellular calcium homeostasis. It is used in research for studying intracellular calcium signaling and has potential therapeutic applications in cancer treatment.

What are the main uses of Thapsigargin (CAS: 67526-95-8)?

Thapsigargin is primarily used in academic and pharmaceutical research for studying calcium signaling pathways. It is also explored in cancer research for its potential as a chemotherapeutic agent. Limited clinical use exists due to toxicity concerns.

Is Thapsigargin (CAS: 67526-95-8) safe?

Thapsigargin is considered toxic and not safe for general use due to its potential to cause severe cytotoxic effects. It should only be handled by trained professionals under strict safety protocols to prevent exposure and ensure proper disposal.

How should Thapsigargin (CAS: 67526-95-8) be stored?

Thapsigargin should be stored in a cool, dry place away from light and heat. It should be kept in a tightly sealed container and stored at 4°C to 8°C (39°F to 46°F) to maintain stability. It is crucial to follow all safety guidelines and work in a well-ventilated area with appropriate personal protective equipment.