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Apraclonidine

HCID 2216
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
66711-21-5
표준 SMILES
Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIKey
IEJXVRYNEISIKR-UHFFFAOYSA-N
분자식
C9H10Cl2N4
평균 분자량
245.11 g/mol
단동위원소 질량
244.02825168

개요

Apraclonidine is an imidazoline that is 2-amino 4,5-dihydro-1H-imidazoline in which one of the exocyclic amino hydrogens has been replaced by a 4-amino-2,6-dichlorophenyl group. It has a role as a diagnostic agent, a beta-adrenergic agonist, an alpha-adrenergic agonist, an antiglaucoma drug and an ophthalmology drug. It is a dichlorobenzene, a member of guanidines and a member of imidazolines. It is a conjugate base of an apraclonidine(1+).

이름 및 식별자

우선 이름
Apraclonidine
IUPAC
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
영어명
Apraclonidine
분자식
C9H10Cl2N4
분자량
245.11

이름 및 동의어

apraclonidine66711-21-54-AminoclonidineApraclonidinaApraclonidinump-aminoclonidine2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine843CEN85DICHEBI:2788DTXSID10484151,4-Benzenediamine, 2,6-dichloro-N'-(4,5-dihydro-1H-imidazol-2-yl)-para-aminoclonidine
이름 더 보기
NC-14ApraclonldineApraclondine HclApraclonidine USP/EP/BPApraclonidine - API Standards2-((4-Amino-2,6-dichlorophenyl)imino)imidazolidine2,6-Dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
Iopimax2-(4-amino-2,6-dichloro)phenyliminoimidazolidineRefChem:57693DTXCID9028388S01EA03AplonidineApraclonidinum [INN-Latin]Apraclonidina [INN-Spanish]

데이터베이스 식별자

CAS
66711-21-5
PubChem CID
2216

물성

구조 계산 물성보충 중

XLogP
1.3
극성 표면적
62.4 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
15
형식 전하
0
복잡도
246

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP1.4
Solubility4.09e-01 g/L
Human DrugsBreast Feeding; Lactation; Adrenergic alpha-2 Receptor Agonists; Antiglaucoma Agents
Physical DescriptionSolid

물리화학적 성질

녹는점
230 ° · >230°
끓는 점
395.5 · 395.5±52.0 °C(Predicted)
밀도
1.63 · 1.63±0.1 g/cm3(Predicted)
저장 조건
2 · Sealed in dry,2-8°C
용해도
45 % · 45%(w/v) aq 2-하이드록시프로필--사이클로덱스트린: 1.4mg/mL 용액은 4℃에서 며칠 동안 보관할 수 있습니다.
산도 계수 (pKa)
9.26 · 9.26±0.50(Predicted)
물리적 상태
고체
색상
하얀색

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk
3
ridadr
UN 2811 6.1/PG 1
risk_code
23/24/25
hazard_code
T
safety_code
22-36/37/39-45

화학 및 산업

약리 정보

ATC Code · 3건

S01EA03

S - Sensory organs

QS - Sensory organs

Protein Binding98.7%
PharmacodynamicsApraclonidine significantly lowers intraocular pressure with minimal effects on cardiovascular and pulmonary parameters. It lowers intraocular pressure by reducing aqueous humor production and increasing uveoscleral outflow.
Mechanism of Action · 1건

Apraclonidine is a relatively selective alpha2 adrenergic receptor agonist that stimulates alpha1 receptors to a lesser extent. It has a peak ocular hypotensive effect occurring at two hours post-dosing. The exact mechanism of action is unknown, but fluorophotometric studies in animals and humans suggest that Apraclonidine has a dual mechanism of action by reducing aqueous humor production through the constriction of afferent ciliary process vessels, and increasing uveoscleral outflow.

Biological Half-Life8 hours
FDA Pharmacological Classification · 6건

843CEN85DI

APRACLONIDINE

Mechanisms of Action [MoA] - Adrenergic alpha-Agonists

Established Pharmacologic Class [EPC] - alpha-Adrenergic Agonist

Apraclonidine is an alpha-Adrenergic Agonist. The mechanism of action of apraclonidine is as an Adrenergic alpha-Agonist.

APRACLONIDINE

MeSH Pharmacological ClassificationCompounds that bind to and activate ADRENERGIC ALPHA-2 RECEPTORS.
Absorption, Distribution and Excretion · 1건

Topical use of apraclonidine ophthalmic solution leads to systemic absorption. Studies of apraclonidine (0.5% ophthalmic solution) dosed one drop three times a day in both eyes for 10 days in normal volunteers yielded mean peak and trough concentrations of 0.9 ng/mL and 0.5 ng/mL, respectively.

관련 반응

1건
반응 기록 만들기
HRID 637716 반응식
HRID 637716생성물로uspto-grants-1985_12

화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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DTXSID
DTXSID1048415
ChEMBL
CHEMBL647
ChEBI
CHEBI:2788
UNII
843CEN85DI
EC Number
636-293-2
Nikkaji
J247.956G
Cellular Locations
Membrane
응용 분야 · 1건

일반 설명In addition to its therapeutic use as an antihypertensiveagent, clonidine has been found to provide beneficialeffects in several other situations, including glaucoma,spasticity, migraine prophylaxis, opiate withdrawal syndrome,and anesthesia. This has prompted the developmentof analogs of clonidine for specific use in some of the mentionedareas. Two of such examples are apraclonidine andbrimonidine. Apraclonidine does not cross the BBB.However, brimonidine can cross the BBB and hence canproduce hypotension and sedation, although these CNSeffects are slight compared with those of clonidine. CNS effectsof these drugs are correlated well to their log P, pKa,and thus log D value. Both apraclonidine and brimonidineare selective α2-agonists with α1: α2 ratios of 30:1 and1,000:1, respectively. Brimonidine is a much more selectiveα2-agonist than clonidine or apraclonidine and is a firstlineagent for treating glaucoma. Apraclonidines’s primarymechanism of action may be related to a reduction of aqueousformation, whereas brimonidine lowers intraocularpressure by reducing aqueous humor production and increasinguveoscleral outflow. Apraclonidine is used specificallyto control elevations in intraocular pressure that canoccur during laser surgery on the eye. Another example istizanidine (Zanaflex), which finds use in treating spasticityassociated with multiple sclerosis or spinal cord injury. Bystimulating 2-adrenergic receptors, it is believed to decreasethe release of excitatory amino acid NTs from spinalcord interneurons.

상·하류 제품 정보

상류 원료

톨루엔에틸렌디아민티오포스겐Aluminium-nickel메틸 T-뷰틸에테르노르말헥산이소프로필알코올메틸알콜

하류 제품

Apraclonidine hydrochloride

추가 설명

정의ChEBI: An imidazoline compound having a 4-amino-2,6-dichloroanilino group at the 2-position.