(+)-Chaetocin
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(+)-Chaetocin
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CAS No:
28097-03-2
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Formula:
C30H28N6O6S4
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Chemical Name:
(+)-Chaetocin
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Synonyms:
[10b,10′b(11H,11′H)-Bi-3,11a-epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole]-1,1′,4,4′-tetrone,2,2′,3,3′,5a,5′a,6,6′-octahydro-3,3′-bis(hydroxymethyl)-2,2′-dimethyl-,(3S,3′S,5aR,5′aR,10bR,10′bR,11aS,11′aS)-;Chaetocin;Chetocin;3,11a-Epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole,bimol. deriv.;(3S,3′S,5aR,5′aR,10bR,10′bR,11aS,11′aS)-2,2′,3,3′,5a,5′a,6,6′-Octahydro-3,3′-bis(hydroxymethyl)-2,2′-dimethyl[10b,10′b(11H,11′H)-bi-3,11a-epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole]-1,1′,4,4′-tetrone;[10b,10′b(11H,11′H)-Bi-3,11a-epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole]-1,1′,4,4′-tetrone,2,2′,3,3′,5a,5′a,6,6′-octahydro-3,3′-bis(hydroxymethyl)-2,2′-dimethyl-,[3S-[3α,5aβ,10bβ(3′R*,5′aS*,10′bS*,11′aR*),11aα]]-;(+)-Chaetocin A;(+)-Chaetocin;Chaetocin A;31794-18-0
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CAS No:
Description
Chaetocin is a specific inhibitor of the histone methyltransferase (HMT) SU(VAR)3-9 with an IC50 of 0.6 μM for SU(VAR)3-9. It also inhibits thioredoxin reductase (TrxR) with an IC50 of 4 μM.
LSM-6198 is a pyrroloindole.
Safety Information
III
6.1(b)
1544
3
20/21/22
FM3032000
Xn
P280
H302 + H312 + H332
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(+)-Chaetocin Use and Manufacturing
Chaetocin is an epithiodioxopiperazine antibiotic that has recently shown promise as a selective antitumor agent. Chaetocin is an inhibitor of lysine-specific methyltransferase SU(VAR)3-9 both in vitro and in vivo. Chaetocin is dramatically accumulated in cancer cells via a process inhibited by glutathione. Inside the cell, its activity is mediated by the imposition of oxidative stress.
Computed Properties
Molecular Weight:696.8
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:3
Exact Mass:696.09531733
Monoisotopic Mass:696.09531733
Topological Polar Surface Area:247
Heavy Atom Count:46
Complexity:1400
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
