51411-04-2

51411-04-2 structure

Name: Alrestatin
Chemical Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
CAS Number: 51411-04-2
Molecular Formula: C₁₄H₉NO₄
Molecular Weight: 168.042
Catalog: Signaling Pathways Metabolic Enzyme/Protease Aldose Reductase
Create Date: 2018-02-12 08:00:00
Modify Date: 2026-07-04 11:21:57
Alrestatin is an inhibitor of aldose reductase, an enzyme involved in the pathogenesis of complications of diabetes mellitus, including diabetic neuropathy.

Name	2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
Synonyms	AY-22284 1,3-dioxo-1h-benz(de)isoquinoline-2(3h)-aceticaci 1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-2-acetic acid AESTATIN 1,3-DIOXO-1H-BENZ[D,E]ISOQUINOLINE-2(3H)-ACETIC ACID (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid Alrestatine Aestatin, 10 mM in DMSO 2,3-Dioxopropyl dihydrogen phosphate alrestatin Aestatin free acid 1H-Benz[de]isoquinoline-2(3H)-acetic acid, 1,3-dioxo IFLAB-BB F0863-0248 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid 2,3-Dihydro-1,3-dioxo-1H-benzo[de]isoquinoline-2-acetic acid 1,3-Dioxo-1H-benzo[de]isoquinoline-2(3H)-acetic acid (1,3-DIOXO-1H-BENZO[DE]ISOQUINOLIN-2(3H)-YL)ACETIC ACID AURORA

Description	Alrestatin is an inhibitor of aldose reductase, an enzyme involved in the pathogenesis of complications of diabetes mellitus, including diabetic neuropathy.
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> Aldose Reductase Research Areas >> Endocrinology

Density	1.7±0.1 g/cm3
Boiling Point	359.1±44.0 °C at 760 mmHg
Molecular Formula	C₁₄H₉NO₄
Molecular Weight	168.042
Flash Point	171.0±28.4 °C
Exact Mass	167.982376
PSA	76.37000
LogP	-2.47
Vapour Pressure	0.0±1.7 mmHg at 25°C
Index of Refraction	1.480
Storage condition	-20℃

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DE4080500

CHEMICAL NAME :: 1H-Benz(de)isoquinoline-2(3H)-acetic acid, 1,3-dioxo-

CAS REGISTRY NUMBER :: 51411-04-2

BEILSTEIN REFERENCE NO. :: 0244370

LAST UPDATED :: 199703

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C14-H9-N-O4

MOLECULAR WEIGHT :: 255.24

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 :: >2500 mg/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: #4405625

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1380 mg/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: #4118495

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1220 mg/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: #4118495

HS Code	2933990090

81-84-5

56-40-6

~96%

51411-04-2

Literature: Donkor, Isaac O.; Abdel-Ghany, Yasser S.; Kador, Peter F.; Mizoguchi, Tadashi; Bartoszko-Malik, Anita; Miller, Duane D. European Journal of Medicinal Chemistry, 1998 , vol. 33, # 1 p. 15 - 22

78052-77-4

~99%

51411-04-2

Literature: Takahashi, Yasutake; Miyashi, Tsutomu; Yoon, Ung Chan; Oh, Sun Wha; Mancheno, Maria; Su, Zhuoyi; Falvey, Daniel F.; Mariano, Patrick S. Journal of the American Chemical Society, 1999 , vol. 121, # 16 p. 3926 - 3932

476359-53-2

~98%

51411-04-2

Literature: Ikeda, Hisafumi; Nakamura, Yushin; Saito, Isao Tetrahedron Letters, 2002 , vol. 43, # 32 p. 5525 - 5528

135980-44-8

51411-04-2

Literature: Avino, Anna; Navarro, Isabel; Farrera-Sinfreu, Josep; Royo, Miriam; Aymami, Juan; Delgado, Antonio; Llebaria, Amadeu; Albericio, Fernando; Eritja, Ramon Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 7 p. 2306 - 2310

81-83-4

51411-04-2

81-84-5

51411-04-2

Literature: Stephen Journal of the Chemical Society, 1931 , p. 871,872

64-19-7

51411-04-2

Literature: Fierz-David; Rossi Helvetica Chimica Acta, 1938 , vol. 21, p. 1466,1479, 1480

353262-66-5

51411-04-2

Literature: Stephen Journal of the Chemical Society, 1931 , p. 871,872

Precursor 6
81-84-5 56-40-6 78052-77-4 135980-44-8
81-83-4 64-19-7
DownStream 0

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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