Ruboxistaurin hydrochloride
기본 정보
- CAS
169939-93-9- 표준 SMILES
CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1.Cl- InChIKey
NYQIEYDJYFVLPO-QAYAHANANA-N- 분자식
- C28H29ClN4O3
- 평균 분자량
- 505 g/mol
- 단동위원소 질량
- 504.1928185
이름 및 식별자
- 우선 이름
- Ruboxistaurin hydrochloride
- IUPAC
- (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione;hydrochloride
- 영어명
- Ruboxistaurin hydrochloride
- 분자식
- C28H28N4O3.ClH
- 분자량
- 505.01
이름 및 동의어
169939-93-9Ruboxistaurin HydrochlorideLY-333531 hydrochlorideUNII-6496V4OCZN6496V4OCZN(9S)-9-((Dimethylamino)methyl)-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo(E,k)pyrrolo(3,4-H)(1,4,13)oxadiazacyclohexadecine-18,20(19H)-dione hydrochlorideRUBOXISTAURIN HYDROCHLORIDE [MI]RUBOXISTAURIN HYDROCHLORIDE [WHO-DD]RefChem:180215Ruboxistaurin HClLY 333531 hydrochlorideLY333531 Hydrochloride
이름 더 보기
LY333531 HClCAS:169939-93-9Ruboxistaurin(LY333531HCl)Ruboxistaurin HCl(LY333531 )ruboxistaurin/LY 333531 hydrochlorideRuboxistaurin hydrochloride (LY333531)LY 333531 hydrochloride - RuboxistaurinLY333531 Hydrochloride(Ruboxistaurin HCl)
Ruboxistaurin (hydrochloride)(18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione;hydrochloride(7S)-7-((Dimethylamino)methyl)-22,25-dihydro-11H,21H,31H-6-oxa-1,3(3,1)-diindola-2(3,4)-pyrrolacyclononaphane-22,25-dione hydrochloride9H,18H-5,21:12,17-Dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione, 9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-, monohydrochloride, (9S)- (9CI)MFCD00940226(12E,32E,7S)-7-((dimethylamino)methyl)-22,25-dihydro-11H,21H,31H-6-oxa-1,3(3,1)-diindola-2(3,4)-pyrrolacyclononaphane-22,25-dione hydrochlorideC28H29ClN4O3LY333531Hydrochloride
데이터베이스 식별자
- CAS
169939-93-9- PubChem CID
- 9870785
- ChEMBL
CHEMBL5307356- UNII
- 6496V4OCZN
물성
구조 계산 물성
- 극성 표면적
- 68.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 872
물리화학적 성질
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- 10 mg/mL, · DMSO: 용해성10mg/mL, 투명
- 물리적 상태
- 가루
- 색상
- 오렌지 레드
- InChIKey
- NYQIEYDJYFVLPO-QAYAHANANA-N
- SMILES
- O=C1NC(=O)C2C3=CN(CCO[C@]([H])(CN(C)C)CCN4C5=CC=CC=C5C(=C4)C1=2)C1=CC=CC=C31.Cl |&1:12,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요LY333531 is an inhibitor of PKCβ (IC50s = 4.7 and 5.9 nM for PKCβ1 and PKCβ2, respectively). It is selective for PKCβ1 and PKCβ2 over PKCα, -γ, -δ, -ε, -ζ, and -η (IC50s = 360, 300, 250, >100,000, and 52 nM, respectively). LY333531 also inhibits glycogen synthase kinase 3β (GSK3β; IC50 = 39.4 nM). It inhibits neutrophil extracellular trap (NET) formation induced by phorbol 12-myristate 13-acetate (PMA; ) in primary human neutrophils when used at a concentration of 1 μM. LY333531 increases the mechanical nociceptive threshold in a rat model of diabetic hyperalgesia induced by streptozotocin (STZ; ).
용도A protein kinase C (PKC) β inhibitor, exhibits significant anti-angiogenic activity that reduces the response of vascular endothelial cells to stimulation by vascular endothelial growth factor (VEGF). It is used in treatment of diabetic microvascular comp
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…