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Minnelide

CAT: 0931-T12042-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T12042-05Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1254702-87-8
Target
Apoptosis, Virus Protease
Related Pathways
Apoptosis, Microbiology/Virology
Purity
0.9959
Bioactivity
Minnelide is a water-soluble tretinoin lactone prodrug with anticancer and antitumor activity that induces apoptosis and may prevent podocyte damage.Minnelide inhibits cervical cancer growth by blocking HPV-induced changes in p53 and pRb.
Smiles
C[C@@]12[C@@]34[C@@]5([C@@](C[C@@]1([H])C6=C(C(OC6)=O)CC2)([H])O5)[C@@H]([C@@]7([C@](O7)([H])[C@]3([H])O4)C(C)C)OCOP([O-])([O-])=O.[Na+].[Na+]
Molecular Formula
C21H25Na2O10P
Molecular Weight
514.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Minnelide

Triptolide Analog is a water soluble analog of the diterpenoid triepoxide triptolide isolated from the Chinese herb Tripterygium wilfordii Hook.f., with potential antineoplastic activity. Upon intravenous administration, the triptolide analog inhibits heat shock protein 70 (HSP70) and prevents HSP70-mediated inhibition of apoptosis. This leads to both the induction of apoptosis and a reduction of cancer cell growth. HSP70, a molecular chaperone upregulated in various cancer cells, plays a key role in the inhibition of caspase-dependent and -independent apoptosis.

CAS Number1254702-87-8
PubChem CID46203139
IUPAC Namedisodium;[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-8-yl]oxymethyl phosphate
Molecular FormulaC21H25Na2O10P
Molecular Weight514.4
Topological Polar Surface Area146
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity1010
SMILES
CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2OCOP(=O)([O-])[O-])O7)COC6=O)C.[Na+].[Na+]
InChI
InChI=1S/C21H27O10P.2Na/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25;;/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25);;/q;2*+1/p-2/t12-,13-,14-,15-,17+,18-,19-,20+,21+;;/m0../s1
InChIKey
ZHBJMVNZRZUQEP-KIKMAQITSA-L
Chemical Structure
2D Structure
2D structure of Minnelide
CAS: 1254702-87-8
CID: 46203139
Formula: C21H25Na2O10P
MW: 514.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass514.09807255
Monoisotopic Mass514.09807255
Topological Polar Surface Area146 Ų
Heavy Atom Count34
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2781-25Minnelide
A18955-10Minnelide 10mg
A18955-25Minnelide 25mg
A18955-50Minnelide 50mg
A18955-1Minnelide 1mg
GTR19208271-01Minnelide free acid
A18955-100Minnelide 100mg
A18955-5Minnelide 5mg
A18955-2Minnelide 2mg
HY-124584AMinnelide (free base)

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