基本情報
- CAS
70359-46-5- 標準SMILES
Brc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
QZHBYNSSDLTCRG-LREBCSMRSA-N- 分子式
- C15H16BrN5O6
- 平均分子量
- 442.22 g/mol
- 単同位体質量
- 441.0284
概要
Brimonidine Tartrate is the tartrate salt form of brimonidine, an imidazole derivative and a selective alpha-2 adrenergic receptor agonist. Upon ocular administration, brimonidine tartrate acts on the blood vessels causing them to constrict which leads to a decrease in the production of aqueous humor. Brimonidine tartrate also enhances the outflow of aqueous humor. This drug is used in the treatment of glaucoma to reduce intraocular pressure.
名称と識別子
- 優先名称
- Brimonidine Tartrate
- IUPAC
- 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
- 現地名
- L-酒石酸ブリモニジン
- 英語名
- Brimonidine Tartrate
- 分子式
- C15H16BrN5O6
- 分子量
- 442.22
名称と別名
BRIMONIDINE TARTRATE70359-46-5AlphaganQolianaLumifyBromoxidine tartrateBrominide tartrateAGN 190342-LFAGN-190342-LFmirvaso4S9CL2DY2HUK-14304-18
名称をさらに表示
L-酒石酸ブリモニジンBrimonidine tartarateBRIMONIDINE D-TARTRATE304 tartrateC15H16BrN5O6UK 14,304 TARTRATEAGN190342 tartrateBRIMONIDINE TARTATE
OCU300OCU-300AGN-190342LFCd-078056-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)CD07805/47UK-1430418CD-07805/47
データベース識別子
- CAS
70359-46-5- PubChem CID
- 54405
- DTXSID
DTXSID70911371- ChEMBL
CHEMBL1200389- UNII
- 4S9CL2DY2H
- EC Number
- 629-848-5
物性
構造計算による物性
- 極性表面積
- 177 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 9
- 回転可能結合数
- 5
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 442
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
物理化学的性質
- 融点
- 207 · 207-208°C (dec.)
- 貯蔵温度
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 溶解性
- 1 mg/ml; · DMSO: 1 mg/ml; PBS (pH 7.2): 3 mg/ml
- 外見
- Solid
- 色
- White to off-white
- 主な用途
- 医薬品（低分子化合物）
- InChI
- InChI=1/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/s3
- InChIKey
- QZHBYNSSDLTCRG-WUUYCOTASA-N
- SMILES
- [C@@H](O)(C(O)=O)[C@H](O)C(=O)O.C12N=CC=NC=1C=CC(NC1=NCCN1)=C2Br |&1:0,5,r|
- CAS データベース
- 70359 · 70359-46-5(CAS DataBase Reference)
化学的性質
化学的特性Off-White Crystalline Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (80%)
安全データ
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 29332900
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
FDA Pharmacological Classification
BRIMONIDINE TARTRATE
alpha-Adrenergic Agonist [EPC]; Adrenergic alpha-Agonists [MoA]
BRIMONIDINE TARTRATE OPHTHALMIC SOLUTION, 0.15%
alpha-Adrenergic Agonist [EPC]; Adrenergic alpha-Agonists [MoA]
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Compounds that bind to and activate ADRENERGIC ALPHA-2 RECEPTORS.
応用分野
説明Brimonidine is an agonist of α2-adrenergic receptors (α2-ARs; Kis = 2.7, 52, and 44 nM for α2A, α2B, and α2C-ARs, respectively, in CHO cells). It is selective for α2-ARs over α1-ARs (Ki = 1,800 nM in human brain). Brimonidine lowers intraocular pressure in DBA/2J mice, a model of glaucoma, to control levels when applied topically to the eye as a 0.1% solution. It also inhibits glutamate release, prevents upregulation of NMDA receptors containing NR1 and NR2A subunits, and protects rat retinal ganglion cells against glutamate excitotoxicity in a rat model of retinal ischemia when administered at a dose of 1 mg/kg per day. Formulations containing brimonidine have been used in the treatment of open-angle glaucoma and ocular hypertension.
使用It is an a 2 receptor agonist. It is a drug used to treat glaucoma. It acts via decreasing aqueous humor synthesis
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