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Substance Name: Chaetocin
RN: 28097-03-2
InChIKey: PZPPOCZWRGNKIR-UHFFFAOYSA-N

Note

  • Inhibits G9a histone methyltransferase.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C30-H28-N6-O6-S4

Molecular Weight

  • 696.851
 
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Names and Synonyms

Name of Substance

  • Chaetocin

Synonyms

  • BRN 5722505
  • Chaetocin

Systematic Name

  • Chetocin

Registry Numbers

CAS Registry Number

  • 28097-03-2

System Generated Number

  • 0028097032

Structure Descriptors

InChI

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

InChIKey

PZPPOCZWRGNKIR-UHFFFAOYSA-N

Smiles

c12c(N[C@@H]3N4[C@@]5(C[C@@]23[C@@]23c6c(N[C@@H]2N2[C@@]7(C3)C(N([C@@](C2=O)(SS7)CO)C)=O)cccc6)C(N([C@@](CO)(C4=O)SS5)C)=O)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1700ug/kg (1.7mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 170, 1980.
mouse LD50 oral 1200mg/kg (1200mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 170, 1980.