Seratrodast

HCID 2449CAS 112665-43-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O
InChIKey
ZBVKEHDGYSLCCC-UHFFFAOYSA-N
분자식
C22H26O4
평균 분자량
354.4 g/mol
단동위원소 질량
354.18310931

개요

Seratrodast is an organic molecular entity.

이름 및 식별자

우선 이름
Seratrodast
IUPAC
7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
영어명
Seratrodast
분자식
C22H26O4
분자량
354.44

이름 및 동의어

SERATRODAST112665-43-7Bronica7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acidAbbott 73001AA-2414ABT-001Abbott-73001A-73001NSC-7596404U58JM421NBenzeneheptanoic acid, zeta-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (+-)-
이름 더 보기
CS-324BronicSeretraSerabenastCCRIS 893950MG/200MG/1G
7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acidseratrodastumRefChem:884908R03DX06692-169-8(+-)-7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid103185-78-0MFCD00875701

데이터베이스 식별자

CAS
112665-43-7
PubChem CID
2449
DTXSID
DTXSID4021397
ChEMBL
CHEMBL70972
ChEBI
CHEBI:32126
UNII
4U58JM421N
EC Number
692-169-8
Nikkaji
J1.633.058B

물성

구조 계산 물성

XLogP
4.4
극성 표면적
71.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
8
무거운 원자 수
26

물리화학적 성질

녹는점
118 · 118-120°C
끓는 점
522.3 · 522.3±49.0 °C(Predicted)
밀도
1.14 · 1.140±0.06 g/cm3(Predicted)
저장 조건
-20 °C · Sealed in dry,Store in freezer, under -20°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
4.76 · 4.76±0.10(Predicted)

화학적 성질

Pale Orange Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (100%)

안전 데이터

wgk
WGK 3
rtecs
DA1600050
HS 번호
2918.30.3000
Hazard Classifications
Repr. 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 2건

R - Respiratory system

QR - Respiratory system

Metabolism/MetabolitesSeratrodast has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoyl]oxyoxane-2-carboxylic acid.
MeSH Pharmacological Classification · 3건

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Compounds that inhibit the action of prostaglandins.

Drugs that are used to treat asthma.

응용 분야 · 1건

개요Seratrodast, a novel benzoquinone derivative, is the first thromboxane A2 (TxA2) receptor antagonist to reach the market. It is orally active for the treatment of bronchospastic disorders such as asthma. TxA2, a metabolite of the arachidonate cascade, is involved in several cardiovascular and respiratory diseases through its potent biological effects on platelet aggregation and constriction of vascular and respiratory smooth muscles. Seratrodast potently inhibits platelet aggregation and bronchoconstriction induced by a TxA2 mimic and by a variety of spasmogenic prostanoids including PGF2α, PGD2 and 9α,11β-PGF2. Seratrodast shows excellent efficacy in asthma and has been reported to be potentially useful in hyper-responsive disorder. The R-(+)- seratrodast was reported to be the active isomer.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
深圳市健竹科技有限公司0755-89218110 13480856786
成都彼样生物科技有限公司18108052721 · [email protected]

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