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105219-56-5

105219-56-5 structure
105219-56-5 structure
  • Name: Apafant
  • Chemical Name: Apafant
  • CAS Number: 105219-56-5
  • Molecular Formula: C22H22ClN5O2S
  • Molecular Weight: 455.96
  • Catalog: Research Areas Inflammation/Immunology
  • Create Date: 2018-10-02 20:06:42
  • Modify Date: 2024-01-06 12:02:37
  • Apafant (WEB 2086), a potent platelet-activating factor (PAF) antagonist, inhibits PAF binding to human PAF receptors with a Ki of 9.9 nM[1].
Name Apafant
Synonyms 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)propan-1-one
1-Propanone, 3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-
4-[3-[4-(2-chlorophenyl)-9-methyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-oxopropyl]morpholine
Apafant
3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone
Description Apafant (WEB 2086), a potent platelet-activating factor (PAF) antagonist, inhibits PAF binding to human PAF receptors with a Ki of 9.9 nM[1].
Related Catalog
Target

Ki: 9.9 nM (Platelet-activating factor)[1]

References

[1]. Kato M, et al. Apafant, a potent platelet-activating factor antagonist, blocks eosinophil activation and is effective in the chronic phase of experimental allergic conjunctivitis in guinea pigs. J Pharmacol Sci. 2004 Aug;95(4):435-42.
Density 1.5±0.1 g/cm3
Boiling Point 720.2±70.0 °C at 760 mmHg
Melting Point 186-188ºC
Molecular Formula C22H22ClN5O2S
Molecular Weight 455.96
Flash Point 389.4±35.7 °C
Exact Mass 455.118286
PSA 100.85000
LogP 1.32
Vapour Pressure 0.0±2.3 mmHg at 25°C
Index of Refraction 1.734
Storage condition 2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QE0479700
CHEMICAL NAME :
Morpholine, 4-((4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2, 4)triazolo(4,3-a)(1,4) diazepin-2-yl)-1-oxopropyl)-
CAS REGISTRY NUMBER :
105219-56-5
LAST UPDATED :
199706
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C22-H22-Cl-N5-O2-S
MOLECULAR WEIGHT :
456.00
WISWESSER LINE NOTATION :
T B575 AN CS HN KNN GHJ D2V- AT6N DOTJ& GR BG M1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4968794
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4968794 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
36 gm/kg
SEX/DURATION :
female 6-12 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 52,215,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3250 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Fertility - abortion Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 52,209,1996
Hazard Codes Xn
RIDADR NONH for all modes of transport
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