Acetic acid,2-[3-methyl-4-oxo-5-(1-piperidinyl)-2-thiazolidinylidene]-, ethyl ester

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Names

[ CAS No. ]:
73-09-6

[ Name ]:
Acetic acid,2-[3-methyl-4-oxo-5-(1-piperidinyl)-2-thiazolidinylidene]-, ethyl ester

[Synonym ]:
(3-methyl-4-oxo-5-piperidin-1-yl-thiazolidin-2-ylidene)-acetic acid ethyl ester
Elkapin
[3-Methyl-4-oxo-5-(1-piperidinyl)thiazolidin-2-ylidene]acetic acid ethyl
W-2900A
2-ethoxycarbonylmethylene-3-methyl-5-piperidino-4-thiazolidone
3-Methyl-5-piperidino-2-ethoxycarbonylmethylen-thiazolidon-(4)
[3-Methyl-4-oxo-5-(1-piperidinyl)thiazolidin-2-ylidene]acetic acid ethyl ester

Chemical & Physical Properties

[ Density]:
1.288g/cm3

[ Boiling Point ]:
449.4ºC at 760 mmHg

[ Molecular Formula ]:
C13H20N2O3S

[ Molecular Weight ]:
284.37500

[ Flash Point ]:
225.6ºC

[ Exact Mass ]:
284.11900

[ PSA ]:
75.15000

[ LogP ]:
1.28390

[ Index of Refraction ]:
1.614

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AI9160000
CHEMICAL NAME :
Acetic acid, (3-methyl-4-oxo-5-piperidino-2-thiazolidinylidene)-, ethyl ester
CAS REGISTRY NUMBER :
73-09-6
LAST UPDATED :
199309
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C13-H20-N2-O3-S
MOLECULAR WEIGHT :
284.41
WISWESSER LINE NOTATION :
T5MV DS EY CHJ A1 EU1VO2 C- AT6NTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10250 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1745,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1575 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1745,1977
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1745,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8670 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1745,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1210 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1745,1977
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56600 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1745,1977
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
3200 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1745,1977 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
137 gm/kg/78W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes in urine composition Related to Chronic Data - death
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1758,1977
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
175 gm/kg/1Y-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1758,1977 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1758,1977
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
67200 mg/kg
SEX/DURATION :
female 16-22 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1758,1977
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
33600 mg/kg
SEX/DURATION :
female 16-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1758,1977
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
6500 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 27,1758,1977

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ETHYL (2Z)-(3-METHYL-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE)ACETATE
  • Piperidine
  • (5-bromo-3-methyl-4-oxo-thiazolidin-2-ylidene)-acetic acid ethyl ester

DownStream

  • ozolinone

Related Compounds

  • 2-cyclopropyl-2-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)oxolan-3-yl]formamido}acetic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-[(pyrazin-2-yl)carbamoyl]butanoic acid
  • 4-[2-cyclopropyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]pentanoic acid
  • 3-{[2-(dimethylcarbamoyl)ethyl]carbamoyl}-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
  • 4-(2,3-dimethylpiperidin-1-yl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acid
  • (2S)-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid
  • (2S)-2-{[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylcyclohexyl]formamido}propanoic acid
  • (2R)-2-{[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-1,2,4-triazol-3-yl]formamido}-4-(methylsulfanyl)butanoic acid
  • 3-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methyloxolane-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
  • 3-[6-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylhexanamido]-2-hydroxy-2-methylpropanoic acid
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