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Chaetoglobosin E

CAT: 0931-TN10448-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10448-01Size:10 mg
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CAS Number
55945-74-9
Target
Ferroptosis
Related Pathways
Apoptosis
Bioactivity
Chaetoglobosin E is a ferroptosis inducer exhibiting significant cytotoxicity against the human tumor cell lines MDA-MB231 and A549, with IC50 values of 9.14 μM and 7.47 μM, respectively. It induces ferroptosis by downregulating GPX4 expression in A549 cells, leading to increased intracellular levels of Fe2+ (iron ions) and the lipid peroxidation product malondialdehyde (MDA), resulting in mitochondrial shrinkage and reduced or absent cristae. Chaetoglobosin E is applicable in cancer research.
Smiles
O=C1[C@]23[C@]([C@H](CC=4C=5C(NC4)=CC=CC5)N1)(C(C)=C(C)[C@@H](O)[C@@]2(/C=C/C[C@H](C)/C=C(\C)/C(=O)[C@@H](O)CCC3=O)[H])[H]
Molecular Formula
C32H38N2O5
Molecular Weight
530.654
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1E,4S,5E,8S,11aR,14S,14aR,17S,17aR)-3,3a,6,6a,9,10,15,16-Octahydro-6,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-1H-cyclotridec(d)isoindole-1,13,17(2H,14H)-trione

Chaetoglobosin E is a secondary alpha-hydroxy ketone, a member of indoles, a macrocycle and a cytochalasan alkaloid. It has a role as an antineoplastic agent and a Chaetomium metabolite.

CAS Number55945-74-9
PubChem CID23259929
IUPAC Name(1R,5S,7E,9S,11E,13R,14S,17R,18S)-5,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,15-triene-2,6,20-trione
Molecular FormulaC32H38N2O5
Molecular Weight530.7
XLogP2.9
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity1110
SMILES
C[C@H]\1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3[C@@]2(C(=O)CC[C@@H](C(=O)/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C)O
InChI
InChI=1S/C32H38N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,23,25-26,28,30,33,35,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,23-,25-,26-,28-,30+,32+/m0/s1
InChIKey
FPNAKNFLJIQADW-CNYNBRRPSA-N
Chemical Structure
2D Structure
2D structure of (1E,4S,5E,8S,11aR,14S,14aR,17S,17aR)-3,3a,6,6a,9,10,15,16-Octahydro-6,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-1H-cyclotridec(d)isoindole-1,13,17(2H,14H)-trione
CAS: 55945-74-9
CID: 23259929
Formula: C32H38N2O5
MW: 530.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.7
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass530.27807232
Monoisotopic Mass530.27807232
Topological Polar Surface Area119 Ų
Heavy Atom Count39
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C266-0.5MGChaetoglobosin A
ADC-P-068Chaetoglobosin
HY-126598Chaetoglobosin F
HY-126597-01Chaetoglobosin C
GTR19156176-01Chaetoglobosin Vb
GTR19156080-01Chaetoglobosin Fex
464012Chaetoglobosin A Acetate
HY-N15398Chaetoglobosin E

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