기본 정보
- CAS
128253-31-6- 표준 SMILES
O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1- InChIKey
ZEYYDOLCHFETHQ-JOCHJYFZSA-N- 분자식
- C23H23NO3
- 평균 분자량
- 361.4 g/mol
- 단동위원소 질량
- 361.1677936
개요
Veliflapon is under investigation in clinical trial NCT00353067 (Veliflapon (Dg-031)to Prevent Heart Attacks or Stroke in Patients With a History of Heart Attack or Unstable Angina).
이름 및 식별자
- 우선 이름
- Veliflapon
- IUPAC
- (2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
- 영어명
- (2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
- 분자식
- C23H23NO3
- 분자량
- 361.43
이름 및 동의어
Veliflapon128253-31-6Bay-x-1005DG-031BAY X-1005JXH6X663L0DTXSID60155843veliflaponumRefChem:901779DTXCID4078334Bay X 1005BAY-X 1005
이름 더 보기
DG 031BAY 1005VelifaponBAY-X-1005 >=98% (HPLC)ZEYYDOLCHFETHQ-JOCHJYFZSA-N2-(4-(quinolin-2-yl-methoxy)phenyl)-2-cyclopentylacetic acidα-Cyclopentyl-4-(2-quinolinylmethoxy)-(R)-benzeneacetic acid(αR)-α-Cyclopentyl-4-(2-quinolinylmethoxy)-benzeneacetic acid
Bay-X1005(2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acidCHEMBL887122-Cyclopentyl-2-(2-((4-formylquinolin-2-yl)methoxy)phenyl)acetic acid(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acidBayx-1005Bay X1005Veliflapon [USAN]
데이터베이스 식별자
- CAS
128253-31-6- PubChem CID
- 123723
- DTXSID
DTXSID60155843- ChEMBL
CHEMBL88712
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 59.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 482
물리화학적 성질
- 녹는점
- 169 · 169-171 °C
- 끓는 점
- 555.4 · 555.4±40.0 °C(Predicted)
- 밀도
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 5 mg/mL · DMSO: 가용성5mg/mL(투명 용액)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 4.47 · 4.47±0.10(Predicted)
- 색상
- 흰색에서 베이지색
- InChI
- 1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1
- InChIKey
- ZEYYDOLCHFETHQ-JOCHJYFZSA-N
- SMILES
- OC(=O)[C@H](C1CCCC1)c2ccc(OCc3ccc4ccccc4n3)cc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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 bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
응용 분야
용도Prevention of acute cardiovascular events.
공급사14 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
관련 반응
1건
화합물 노트
불러오는 중…