홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

Amlexanox

HCID 2161
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
68302-57-8
표준 SMILES
CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
InChIKey
SGRYPYWGNKJSDL-UHFFFAOYSA-N
분자식
C16H14N2O4
평균 분자량
298.29 g/mol
단동위원소 질량
298.09535693

개요

Amlexanox is a pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. It has a role as a non-steroidal anti-inflammatory drug, an anti-ulcer drug and an anti-allergic agent. It is a monocarboxylic acid and a pyridochromene.

이름 및 식별자

우선 이름
Amlexanox
IUPAC
2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
영어명
Amlexanox
분자식
C16H14N2O4
분자량
298.29

이름 및 동의어

amlexanox68302-57-8AmoxanoxAphthasolElicsAA-673AmlexanoxoAmlexanoxumaphthealCHX 3673CHX-3673AA 673
이름 더 보기
SolfAmlexanox RSAmlexanox (AA-673)NSC7223
2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid2-Amino-7-isopropyl-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carboxylic acidBRL1C2459K2-Amino-7-(1-methylethyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acidCHEBI:312055H-(1)Benzopyrano(2,3-b)pyridine-3-carboxylic acid, 2-amino-7-(1-methylethyl)-5-oxo-2-Amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno(2,3-b)pyridine-3-carboxylic acid

데이터베이스 식별자

CAS
68302-57-8
PubChem CID
2161
DTXSID
DTXSID2022595
ChEMBL
CHEMBL1096
ChEBI
CHEBI:31205
UNII
BRL1C2459K
EC Number
804-135-3
Nikkaji
J22.801J

물성

구조 계산 물성

XLogP
3.1
극성 표면적
103 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
22
형식 전하
0
복잡도
467

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP4.1
Solubility1.46e-01 g/L
Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid

물리화학적 성질

녹는점
3000 C · >3000C
끓는 점
570 · 570.0±50.0 °C(Predicted)
밀도
1.408 · 1.408±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C
용해도
10 mg/mL, · DMSO: 따뜻한 상태에서 용해성 10mg/mL, 투명함
산도 계수 (pKa)
3.95 · 3.95±0.20(Predicted)
물리적 상태
가루
색상
흰색에서 베이지색
Merck
14 · 14,490

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
rtecs
DJ3102000
HS 번호
29349990
risk_code
22-43
hazard_code
Xn
safety_code
36/37-37-36
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 4건

R - Respiratory system

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

QR - Respiratory system

Pharmacodynamics · 1건

Amlexanox is a mucoadhesive oral paste which has been clinically proven to abort the onset, accelerate healing and resolve the pain of aphthous ulcers (canker sores). It decreases the time ulcers take to heal. Because amlexanox decreases the healing time, it also decreases the pain you feel. Recent studies have also shown that the majority of ulcers can be prevented by application of the paste during the prodromal (pre-ulcerative) phase of the disease. Recurrent Aphthous Ulcers (RAU) also known as Recurrent Aphthous Stomatitis (RAS) is recognized as the most common oral mucosal disease known to man. Estimates suggest that 20% - 25% of the general population suffer at least one incidence of aphthous ulcers each year. Amlexanox is also being investigated for its anti-allergenic and anti-inflammatory properties.

Mechanism of Action · 1건

As a benzopyrano-bipyridine carboxylic acid derivative, amlexanox has anti-inflammatory and antiallergic properties. It inhibits chemical mediatory release of the slow-reacting substance of anaphylaxis (SRS-A) and may have antagonistic effects on interleukin-3. When cells are under stress, they release an inactive form of human fibroblast growth factor 1 (FGF-1), a potent mitogen (entity that causes mitosis). Amlexanox binds to FGF1, increasing its conformational stability, sterically blocking Cu(2+) induced oxidation which normally leads to activation of FGF-1.

Biological Half-LifeElimination half-life is 3.5 ± 1.1 hours.
Metabolism/MetabolitesMetabolized to hydroxylated and conjugated metabolites.
FDA Pharmacological Classification · 4건

BRL1C2459K

AMLEXANOX

Physiologic Effects [PE] - Decreased Histamine Release

The physiologic effect of amlexanox is by means of Decreased Histamine Release.

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
안정성
3 · 최대 3개월 동안 -20°의 DMSO에 보관
InChI
InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChIKey
SGRYPYWGNKJSDL-UHFFFAOYSA-N
SMILES
C12OC3=CC=C(C(C)C)C=C3C(=O)C1=CC(C(O)=O)=C(N)N=2

화학적 성질

White Crystalline Solid

MeSH Pharmacological Classification · 1건

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

Absorption, Distribution and ExcretionNo significant absorption directly through the active ulcer. Most of the systemic absorption is via the gastrointestinal tract.
Cellular LocationsExtracellular
응용 분야 · 3건

개요Amlexanox is an orally-active antiasthmatic agent useful in the treatment of bronchial asthma and allergy-related sinus disorders. The therapeutic effect of amlexanox appears to be attributed to its inhibitory actions on leukohiene D4, PAF and histamine.

용도Inhibits release of allergic mediators from mast cells. Antiallergic; antiasthmatic

일반 설명Amlexanox is an anti-allergic drug with anti-inflammatory properties.

상·하류 제품 정보

상류 원료

센트로맨Ethyl hydrogen malonate에틸 사이아노아세테이트모르폴린3-시아노-6-이소프로필크로몬피페리딘Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
济南中科一通化工有限公司0531-88658009 15552873609 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
山东中科泰斗化学有限公司0531-88682301 18595278760 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
北京科富瑞德科技发展有限责任公司+86-010-60279497 +86-15646567669 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
湖北威德利化学科技有限公司027-83989310 18627915365
湖北威德利化学试剂有限公司18327179646 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]

추가 설명

정의ChEBI: A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position.