Nepafenac structure, CAS 78281-72-8

Nepafenac

CAS Number78281-72-8

SynonymsNevanac; 2-(2-Amino-3-benzoylphenyl)acetamide; Nepafenac; Nepafanac; 2-Amino-3-benzoylbenzeneacetamide; 2-[2-amino-3-(phénylcarbonyl)phényl]acétamide; AL 6515; AHR 9434; 2-[2-Amino-3-(phenylcarbonyl)phenyl]acetamid; 2-[2-amino-3-(phenylcarbonyl)phenyl]acetamide; 2-Amino-3-benzoyl-phenylacetamide

Molecular FormulaC15H14N2O2

Molecular Weight254.28

Purity99.00%

Density1.3±0.1 g/cm3

Boiling Point562.5±50.0 °C at 760 mmHg

Melting Point177-181ºC

Flash Point

AppearanceSolid;Light yellow to Yellow to Orange powder to crystal

EINECS

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Cat. No.: 2A-9011614 Purity: 99.00%
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Quality Control of [ 78281-72-8 ] Purity: 99.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number78281-72-8
Catalog No.2A-9011614
Chinese Name奈帕芬胺
SynonymsNevanac; 2-(2-Amino-3-benzoylphenyl)acetamide; Nepafenac; Nepafanac; 2-Amino-3-benzoylbenzeneacetamide; 2-[2-amino-3-(phénylcarbonyl)phényl]acétamide; AL 6515; AHR 9434; 2-[2-Amino-3-(phenylcarbonyl)phenyl]acetamid; 2-[2-amino-3-(phenylcarbonyl)phenyl]acetamide; 2-Amino-3-benzoyl-phenylacetamide
Molecular FormulaC15H14N2O2
Molecular Weight254.28
Purity99.00
Density1.3±0.1 g/cm3
Boiling Point562.5±50.0 °C at 760 mmHg
Melting Point177-181ºC
AppearanceSolid;Light yellow to Yellow to Orange powder to crystal
Storage ConditionRefrigerator
ApplicationNepafenac (AHR 9434; AL 6515; Nevanac) is a COX-2 inhibitor and the original drug of Amfenac.
HTC2924299090
MDL NumberMFCD08067732
SMILESNC(=O)Cc1cccc(c1N)C(=O)c2ccccc2
InChI1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)
InChI KeyQEFAQIPZVLVERP-UHFFFAOYSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard SymbolsTransport
MSDSmsds/11614_1_78281_72_8.pdf
BioactivityNepafenac(AHR 9434; AL 6515; Nevanac) is a selective COX-2 inhibitor; is prodrug of Amfenac.IC50 value:Target: COX-2Nepafenac is a NSAID (nonsteroidal anti inflammatory drug) that is routinely used in opthamology to control pain following cataract surgery. Related Catalog Research Areas >> Inflammation/Immunology Target COX-1:64.3 μM (IC50) COX-2 References [1]. Gamache DA, Graff G, Brady MT et al. Nepafenac, a unique nonsteroidal prodrug with potential utility in the treatment of trauma-induced ocular inflammation: I. Assessment of anti-inflammatory efficacy. Inflammation. 2000 Aug;24(4):357-70. [2]. Ke TL, Graff G, Spellman JM, Yanni JM. Nepafenac, a unique nonsteroidal prodrug with potential utility in the treatment of trauma-induced ocular inflammation: II. In vitro bioactivation and permeation of external ocular barriers. Inflammation. 2000 Aug;24(4):371-84. [3]. Lindstrom R, Kim T. Ocular permeation and inhibition of retinal inflammation: an examination of data and expert opinion on the clinical utility of nepafenac. Curr Med Res Opin. 2006 Feb;22(2):397-404. [4]. Marshall JC, Fernandes BF, Di Cesare S et al. The use of a cyclooxygenase-2 inhibitor (Nepafenac) in an ocular and metastatic animal model of uveal melanoma. Carcinogenesis. 2007 Sep;28(9):2053-8. [5]. Singh R, Alpern L, Jaffe GJ et al. Evaluation of nepafenac in prevention of macular edema following cataract surgery in patients with diabetic retinopathy. Clin Ophthalmol. 2012;6:1259-69. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 562.5±50.0 °C at 760 mmHg Melting Point 177-181ºC Molecular Formula C15H14N2O2 Molecular Weight 254.284 Flash Point 294.0±30.1 °C Exact Mass 254.105530 PSA 86.18000 LogP 0.73 Vapour Pressure 0.0±1.5 mmHg at 25°C Index of Refraction 1.641 InChIKey QEFAQIPZVLVERP-UHFFFAOYSA-N SMILES NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N Storage condition Refrigerator
Use ofNepafenac(AHR 9434; AL 6515; Nevanac) is a selective COX-2 inhibitor; is prodrug of Amfenac.IC50 value:Target: COX-2Nepafenac is a NSAID (nonsteroidal anti inflammatory drug) that is routinely used in opthamology to control pain following cataract surgery. Properties Name nepafenac Synonym More Synonyms Nepafenac Biological Activity Description Nepafenac(AHR 9434; AL 6515; Nevanac) is a selective COX-2 inhibitor; is prodrug of Amfenac.IC50 value:Target: COX-2Nepafenac is a NSAID (nonsteroidal anti inflammatory drug) that is routinely used in opthamology to control pain following cataract surgery. Related Catalog Research Areas >> Inflammation/Immunology COX-1:64.3 μM (IC50) References [1]. Gamache DA, Graff G, Brady MT et al. Nepafenac, a unique nonsteroidal prodrug with potential utility in the treatment of trauma-induced ocular inflammation: I. Assessment of anti-inflammatory efficacy. Inflammation. 2000 Aug;24(4):357-70. [2]. Ke TL, Graff G, Spellman JM, Yanni JM. Nepafenac, a unique nonsteroidal prodrug with potential utility in the treatment of trauma-induced ocular inflammation: II. In vitro bioactivation and permeation of external ocular barriers. Inflammation. 2000 Aug;24(4):371-84. [3]. Lindstrom R, Kim T. Ocular permeation and inhibition of retinal inflammation: an examination of data and expert opinion on the clinical utility of nepafenac. Curr Med Res Opin. 2006 Feb;22(2):397-404. [4]. Marshall JC, Fernandes BF, Di Cesare S et al. The use of a cyclooxygenase-2 inhibitor (Nepafenac) in an ocular and metastatic animal model of uveal melanoma. Carcinogenesis. 2007 Sep;28(9):2053-8. [5]. Singh R, Alpern L, Jaffe GJ et al. Evaluation of nepafenac in prevention of macular edema following cataract surgery in patients with diabetic retinopathy. Clin Ophthalmol. 2012;6:1259-69. Chemical & Physical Properties Molecular Formula C15H14N2O2 Exact Mass 254.105530 PSA 86.18000 Index of Refraction 1.641 InChIKey QEFAQIPZVLVERP-UHFFFAOYSA-N Storage condition Refrigerator
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Purity: 99.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 Names specified by the United Nations (UN) European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Nepafenac) IMDG Code: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Nepafenac) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (Nepafenac) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations Maritime Pollutants: Yes International Air Transport Dangerous Regulations: Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3),
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