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Substance Name: 3,9-Bis((ethylthio)methyl)-K-252a
RN: 156177-65-0
UNII: 200HA2LIMK
InChIKey: SCMLRESZJCKCTC-KMYQRJGFSA-N

Note

  • Mixed lineage kinase inhibitor, neuroprotective agent, and neurotrophic agent derived from K-252a.

Molecular Formula

  • C33-H33-N3-O5-S2

Molecular Weight

  • 615.7717
 
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Names and Synonyms

Name of Substance

  • 3,9-Bis((ethylthio)methyl)-K-252a

Synonyms

  • 3,9-Bis(etsm)-K-252a
  • CEP 1347
  • CEP-1347
  • CEP1347
  • KT 7515
  • KT-7515
  • UNII-200HA2LIMK

Systematic Name

  • 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 5,16-bis((ethylthio)methyl)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester, (9S-(9alpha,10beta,12alpha))-

Registry Numbers

CAS Registry Number

  • 156177-65-0

FDA UNII

  • 200HA2LIMK

Other Registry Number

  • 170587-65-2

System Generated Number

  • 0156177650

Structure Descriptors

InChI

1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1

InChIKey

SCMLRESZJCKCTC-KMYQRJGFSA-N

Smiles

CCSCc1ccc2c(c1)c3c4CNC(=O)c4c5c6cc(CSCC)ccc6n7[C@H]8C[C@](O)(C(=O)OC)[C@](C)(O8)n2c3c57