Itazigrel

Modify Date: 2025-08-25 19:02:47

Itazigrel Structure
Itazigrel structure
 Common Name Itazigrel
CAS Number 70529-35-0 Molecular Weight 365.36900
Density 1.285g/cm3 Boiling Point 400.3ºC at 760 mmHg
Molecular Formula C18H14F3NO2S Melting Point N/A
MSDS N/A Flash Point 195.9ºC

 Names

Name 4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.285g/cm3
Boiling Point 400.3ºC at 760 mmHg
Molecular Formula C18H14F3NO2S
Molecular Weight 365.36900
Flash Point 195.9ºC
Exact Mass 365.07000
PSA 59.59000
LogP 5.51310
Index of Refraction 1.547
InChIKey CIPBQTCSXVEDSG-UHFFFAOYSA-N
SMILES COc1ccc(-c2nc(C(F)(F)F)sc2-c2ccc(OC)cc2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ2983000
CHEMICAL NAME :
Thiazole, 4,5-bis(4-methoxyphenyl)-2-trifluoromethyl-
CAS REGISTRY NUMBER :
70529-35-0
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H14-F3-N-O2-S
MOLECULAR WEIGHT :
365.39

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: #4659726
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THHADQ Thrombosis and Haemostasis. (F.K. Schattauer Verlag, Postfach 104545, D-70040 Stuttgart, Germany) V.35- 1976- Volume(issue)/page/year: 46,26,1981

 Synthetic Route

Ethanone,2-bromo-1,2-bis(4-methoxyphenyl) structure

Ethanone,2-brom...

CAS#:27895-95-0

2,2,2-Trifluoroethanethioamide structure

2,2,2-Trifluoro...

CAS#:421-52-3

~%

Itazigrel Structure

Itazigrel

CAS#:70529-35-0

Literature: Rynbrandt, Ronald H.; Nishizawa, Edward E.; Balogoyen, Doris P.; Mendoza, A. Rene; Annis, Kathleen A. Journal of Medicinal Chemistry, 1981 , vol. 24, # 12 p. 1507 - 1510
N/A structure

N/A

CAS#:15857-57-5

2,2,2-Trifluoroacetamide structure

2,2,2-Trifluoro...

CAS#:354-38-1

~34%

Itazigrel Structure

Itazigrel

CAS#:70529-35-0

Literature: Rynbrandt, R. H.; Nishizawa, E.- E.; Balogoyen, D. P.; Mendoza, A. R.; Annis, U. A. J. Med. Chem., 1981 , vol. 24, p. 1507 - 1510 View citing articles Show Details Gmelin Handbook: F: PerFHalOrg.SVol.1, 6.2.1.2, page 193 - 198 Show Details The Upjohn Co., Rynbrandt, R. H. Patent: DE2836742 , 1979 ; C.A., 1979 , vol. 91, p. 20490

 ItazigrelBioassay

View more

Name: In vitro vasodilatory activity in isolated rat aorta
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL776420
Name: Inhibitory effect on platelet aggregation induced by Collagen in guinea pigs ex vivo ...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL680154
Name: Inhibitory effect on platelet aggregation induced by Collagen in guinea pigs ex vivo ...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL680153
Name: Percent inhibition of platelet aggregation at 0 hours following oral administration t...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL688264
Name: Percent inhibition of platelet aggregation at 16 hours following oral administration ...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL687314
Name: Percent inhibition of platelet aggregation at 12 hours following oral administration ...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL688265
Name: Percent inhibition of platelet aggregation at 24 hours following oral administration ...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL687316
Name: Induction of acute stomach lesion at a dose of 32 mg/Kg was determined in 5 animals
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL804165
Name: Percent inhibition of platelet aggregation at 2 hours following oral administration t...
Source: ChEMBL
Target: Cavia porcellus
External Id: CHEMBL687315
Name: Induction of acute stomach lesion at a dose of 32 mg/Kg to determine the number of ra...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL850061
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 Synonyms

4,5-bis(p-Methoxyphenyl)-2-(trifluoromethyl)thiazole
2-Trifluormethyl-4,5-bis(p-methoxyphenyl)thiazole
Itazigrelum [Latin]
Itazogrel
ITAZIGREL
4,5-bis-(4-methoxy-phenyl)-2-trifluoromethyl-thiazole
2-Trifluormethyl-4,5-di-p-anisylthiazol
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Related Compounds: More...
2-({5-benzyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
1040664-36-5
2-({5-benzyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-(2,5-difluorophenyl)acetamide
1040664-43-4
2-({5-benzyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
1040664-50-3
N-(4-fluorophenyl)-2-({5-[(4-fluorophenyl)methyl]-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)acetamide
1040664-57-0
2-({5-[(4-methoxyphenyl)methyl]-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-(3-methylbutyl)acetamide
1040664-64-9
N-(4-fluorophenyl)-2-({5-[(4-methylphenyl)methyl]-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)acetamide
1040664-71-8
N-(3-methylbutyl)-2-({5-[(4-methylphenyl)methyl]-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)acetamide
1040664-79-6
5-[(4-Methoxyphenyl)methyl]-4-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-6-one
1040664-87-6
3-Isopropylpicolinic acid
1211589-10-4
2-Methoxy-3-methylbenzonitrile
53078-68-5
Chemsrc provides Itazigrel(CAS#:70529-35-0) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of Itazigrel are included as well.>> amp version: Itazigrel

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