CAS Number63610-08-2
Synonyms4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-benzeneacetic acid; (±)-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; K-3920; 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; 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
Molecular FormulaC18H17O3N1
Molecular Weight295.34
Purity98.00%
Density1.3±0.1 g/cm3
Boiling Point518.1±50.0 °C at 760 mmHg
Melting Point33-34 °C(lit.)
AppearanceSolid;White to Light yellow powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 63610-08-2 |
| Catalog No. | 2A-9010942 |
| Chinese Name | 吲哚布芬 |
| Synonyms | 4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-benzeneacetic acid; (±)-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; K-3920; 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; 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 |
| Molecular Formula | C18H17O3N1 |
| Molecular Weight | 295.34 |
| Purity | 98.00 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 518.1±50.0 °C at 760 mmHg |
| Melting Point | 33-34 °C(lit.) |
| Appearance | Solid;White to Light yellow powder to crystal |
| Storage Condition | Store in inert gas; avoid air |
| Application | Indobufen is a platelet aggregation inhibitor. Indobufen is a reversible inhibitor of platelet cyclooxygenase (Cox) activity. Indobufen inhibits thromboxane A2 (TxA2) synthesis. Indobufen reduces tiss |
| HTC | 2942000000 |
| MDL Number | MFCD00572250 |
| SMILES | CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1 |
| InChI | InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)/t15-/m1/s1 |
| InChI Key | AYDXAULLCROVIT-UHFFFAOYSA-N |
| MSDS | msds/10942_1_63610_08_2.pdf |
| Use of | 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]. Properties Name 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid Synonym More Synonyms Indobufen Biological Activity 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 Disease Signaling Pathways >> Immunology/Inflammation >> COX 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 Molecular Formula C18H17NO3 Exact Mass 295.120850 PSA 57.61000 Index of Refraction 1.630 InChIKey AYDXAULLCROVIT-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Butyric acid, 2-(p-(1-oxo-2-isoindolinyl)phenyl)-, (+-)- CAS REGISTRY NUMBER : 63610-08-2 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C18-H17-N-O3 MOLECULAR WEIGHT : 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 : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : Safety Information WGK Germany 3 HS Code 2942000000 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: 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% |
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