CAS 63610-08-2|Indobufen

Introduction：Basic information about CAS 63610-08-2|Indobufen, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Indobufen BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Indobufen
CAS Number	63610-08-2	Molecular Weight	295.33
Density	1.3±0.1 g/cm3	Boiling Point	518.1±50.0 °C at 760 mmHg
Molecular Formula	C₁₈H₁₇NO₃	Melting Point	33-34 °C(lit.)
MSDS	/	Flash Point	267.1±30.1 °C

Names

Name	2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
Synonym	More Synonyms

Indobufen BiologicalActivity

Description	Indobufen is a platelet aggregation inhibitor. Indobufen is a reversible platelet cyclooxygenase (Cox) activity inhibitor. Indobufen suppresses thromboxane A2 (TxA2) synthesis. Indobufen down-regulates tissue factor (TF) in monocytes[1].
Related Catalog	Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Immunology/Inflammation >>COX
Target	COX
In Vitro	Indobufen does not affect both Cox-1 and Cox-2 protein, whereas Indobufen reduces TxB2 levels. Indobufen inhibits TxA2 but not PGE2 synthesis in LPS-stimulated monocytes. Indobufen reduces the extent of ERK1/2 phosphorylation, whereas the levels of phosphorylated p38 are unaltered[1].
References	[1]. Eligini S, et al. Indobufen inhibits tissue factor in human monocytes through a thromboxane-mediated mechanism. Cardiovasc Res. 2006 Jan;69(1):218-26.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	518.1±50.0 °C at 760 mmHg
Melting Point	33-34 °C(lit.)
Molecular Formula	C₁₈H₁₇NO₃
Molecular Weight	295.33
Flash Point	267.1±30.1 °C
Exact Mass	295.120850
PSA	57.61000
LogP	3.30
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.630
InChIKey	AYDXAULLCROVIT-UHFFFAOYSA-N
SMILES	CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ET5955800

CHEMICAL NAME :: Butyric acid, 2-(p-(1-oxo-2-isoindolinyl)phenyl)-, (+-)-

CAS REGISTRY NUMBER :: 63610-08-2

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C18-H17-N-O3

MOLECULAR WEIGHT :: 295.36

WISWESSER LINE NOTATION :: T56 BVN DHJ CR DY2&VQ

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 :: 373 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,109,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 345 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,109,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 333 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,109,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 697 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,109,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 365 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,109,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 370 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,109,1979

Safety Information

WGK Germany	3
HS Code	2942000000

Customs

HS Code	2918300090
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Synonyms

4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-benzeneacetic acid

Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-, (±)-

(±)-4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-a-ethylbenzeneacetic Acid

2-[4-(1-Oxo-1,3-dihydro-isoindol-2

MFCD00572250

2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid

Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-

K-3920

UNII-6T9949G4LZ

1-Oxo-2-[p-[(a-ethyl)carboxymethyl]phenyl]isoindoline

EINECS 264-364-4

2-(4-(1-Oxo-2-isoindolinyl)phenyl)butyric acid

Ibustrin

1-Oxo-2-(p-((α-ethyl)carboxymethyl)phenyl)isoindoline

2-[4-(1-Carboxypropyl)phenyl]-1-isoindolinone

(±)-2-[p-(1-Oxo-2-isoindolinyl)phenyl]butyric Acid

Butyric acid, 2-(p-(1-oxo-2-isoindolinyl)phenyl)-, (±)-

Indobufen

2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-butyric acid

2-(4-(1-oxoisoindolin-2-yl)phenyl)butanoic acid

Indobufen (INN)

(±)-2-(p-(1-Oxo-2-isoindolinyl)phenyl)butyric acid

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