Ibrolipim
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
133208-93-2- 표준 SMILES
CCOP(=O)(Cc1ccc(C(=O)Nc2ccc(Br)cc2C#N)cc1)OCC- InChIKey
KPRTURMJVWXURQ-UHFFFAOYSA-N- 분자식
- C19H20BrN2O4P
- 평균 분자량
- 451.2 g/mol
- 단동위원소 질량
- 450.03440585
개요
Ibrolipim is a small molecule drug. Ibrolipim has a monoisotopic molecular weight of 450.03 Da.
이름 및 식별자
- 우선 이름
- Ibrolipim
- IUPAC
- N-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide
- 영어명
- NO-1886
- 분자식
- C19H20BrN2O4P
- 분자량
- 451.25
이름 및 동의어
Ibrolipim133208-93-2NO-18864-Diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamideOPF-009OPF009DTXSID20157989Phosphonic acid, ((4-(((4-bromo-2-cyanophenyl)amino)carbonyl)phenyl)methyl)-, diethyl esterPhosphonic acid, [[4-[[(4-bromo-2-cyanophenyl)amino]carbonyl]phenyl]methyl]-, diethyl ester07H1561618Diethyl [[4-[[(4-bromo-2-cyanophenyl)amino]carbonyl]phenyl]methyl]phosphonateibrolipimum
이름 더 보기
NO-1886 IbrolipimIbrolipim NO-1886Ibrolipim, 10 mM in DMSODiethyl 4-[(4-bromo-2-cyanophenyl)carbamoyl]benzylphosphonate
Diethyl ((4-(((4-bromo-2-cyanophenyl)amino)carbonyl)phenyl)methyl)phosphonateRefChem:789641DTXCID2080480Lipoprotein Lipase ActivatorOPF 009Diethyl (4-((4-bromo-2-cyanophenyl)carbamoyl)benzyl)phosphonateDiethyl 4-((4-bromo-2-cyanophenyl)carbamoyl)benzylphosphonateN-(4-bromo-2-cyanophenyl)-4-(diethoxyphosphorylmethyl)benzamide
데이터베이스 식별자
- CAS
133208-93-2- PubChem CID
- 131601
- DTXSID
DTXSID20157989- ChEMBL
CHEMBL34234- UNII
- 07H1561618
- EC Number
- 634-329-1
- Nikkaji
- J692.960E
물성
구조 계산 물성보충 중
- XLogP
- 3.5
- 극성 표면적
- 88.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 576
실험 및 물리화학적 성질
LogP3.21
물리화학적 성질
- 녹는점
- 160.5 · 160.5-162.1 °C
- 끓는 점
- 512.5 · 512.5±50.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 20 mg/mL · DMSO: ≥20mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 11.51 · 11.51±0.70(Predicted)
- 색상
- 황백색에서 연한 노란색
- InChI
- 1S/C19H20BrN2O4P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)22-18-10-9-17(20)11-16(18)12-21/h5-11H,3-4,13H2,1-2H3,(H,22,23)
- InChIKey
- KPRTURMJVWXURQ-UHFFFAOYSA-N
- SMILES
- CCOP(=O)(Cc1ccc(cc1)C(=O)Nc2ccc(Br)cc2C#N)OCC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+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 CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 36/37/38-25
- hazard_code
- Xi,T
- safety_code
- 26-36-45
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
Metabolism/MetabolitesIbrolipim has known human metabolites that include [4-[(4-Bromo-2-cyanophenyl)carbamoyl]phenyl]methyl-ethoxyphosphinic acid.
MeSH Pharmacological Classification
Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Compounds that increase the enzymatic activity of LIPOPROTEIN LIPASE. Lipoprotein lipase activators have a potential role in the treatment of OBESITY by increasing LIPID METABOLISM. Note that substances that increase the synthesis of lipoprotein lipase are not included here.
응용 분야
용도Antiatherogenic; antiobesity; antidyslipidemia; anticachexia; and antidiabetes/syndrome.
관련 반응
5건
화합물 노트
불러오는 중…