Chaetocin - CAS 28097-03-2

Chaetocin (CAT: I010970) is a natural compound isolated from the fungus Chaetomium species. It acts as a selective inhibitor of histone methyltransferase SUV39H1, leading to the inhibition of histone H3 lysine 9 (H3K9) methylation. Chaetocin exhibits pharmacological activities against various cancers by inducing apoptosis, inhibiting cell proliferation, and suppressing tumor growth. It has shown potential as an anti-cancer agent in preclinical studies, particularly in hematological malignancies such as leukemia. Chaetocin’s ability to modulate histone methylation and epigenetic processes makes it a promising candidate for further exploration in cancer therapy and epigenetic-based treatments.

Catalog Number: I010970

CAS Number: 28097-03-2

PubChem Substance ID:355036570

Molecular Formula: C₃₀H₂₈N₆O₆S₄

Molecular Weight:696.84

Purity: ≥95%

Appearance:White to Off-White Solid

* For research use only. Not for human or veterinary use.


Property

Molecular Formula: C₃₀H₂₈N₆O₆S₄
Molecular Weight696.84
Target:Histone Methyltransferase
SolubilitySoluble to 10 mM in DMSO
Purity≥95%
StorageStore at -20C
MDLMFCD00133163

Computed Descriptor

IUPAC Name(1S,3R,11R,14S)-14-(hydroxymethyl)-3-[(1S,3R,11R,14S)-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
InChIInChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3
InChIKeyPZPPOCZWRGNKIR-UHFFFAOYSA-N
SMILESCN1C(=O)C23CC4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67CC89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C