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Substance Name: Sepimostate mesilate
RN: 103926-82-5
UNII: 8MW790BPKQ
InChIKey: NAMGRNXMZHEICS-UHFFFAOYSA-N

Note

  • Used in therapy of pancreatitis.

Molecular Formula

  • C21-H19-N5-O2.2C-H4-O3-S

Molecular Weight

  • 469.5197
 

Classification Codes

  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Mutation Data
  • Protease Inhibitors
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Sepimostate mesilate

Synonyms

  • 6-(Aminoiminomethyl)-2-naphthalenyl 4-((4,5-dihydro-1H-imidazol-2-yl)aminobenzoate dimethanesulfonate
  • 6-Amidino-2-naphthyl 4-((4,5-dihydro-1H-imidazol-2-yl)amino)benzoate dimethanesulfonate
  • FUT 187
  • Sepimostat mesilate
  • Sepimostat mesylate
  • TO-187
  • UNII-8MW790BPKQ

Systematic Name

  • Benzoic acid, 4-((4,5-dihydro-1H-imidazol-2-yl)amino)-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 103926-82-5

FDA UNII

  • 8MW790BPKQ

System Generated Number

  • 0103926825

Molecular Formulas

Molecular Formula

  • C21-H19-N5-O2.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H19-N5-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H19N5O2.CH4O3S/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21;1-5(2,3)4/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26);1H3,(H,2,3,4)

InChIKey

NAMGRNXMZHEICS-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1cc(ccc1C(=O)Oc2ccc3cc(ccc3c2)C(=N)N)NC4=NCCN4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 3gm/kg (3000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Toxicological Sciences. Vol. 17(Suppl,
mouse LD50 intravenous 19mg/kg (19mg/kg)   United States Patent Document. Vol. #4820730,
mouse LD50 oral 3626mg/kg (3626mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Toxicological Sciences. Vol. 17(Suppl,
mouse LD50 subcutaneous 5492mg/kg (5492mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Toxicological Sciences. Vol. 17(Suppl,
rat LD50 intravenous 15800ug/kg (15.8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Toxicological Sciences. Vol. 17(Suppl,
rat LD50 oral 3761mg/kg (3761mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Toxicological Sciences. Vol. 17(Suppl,
rat LD50 subcutaneous 3343mg/kg (3343mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Toxicological Sciences. Vol. 17(Suppl,