기본 정보
- CAS
251945-92-3- 표준 SMILES
OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1- InChIKey
RBZNJGHIKXAKQE-UHFFFAOYSA-N- 분자식
- C18H20N4O
- 평균 분자량
- 308.4 g/mol
- 단동위원소 질량
- 308.16371127
개요
Derenofylline has been used in trials studying the treatment of Congestive Heart Failure and Acute Decompensated Heart Failure; Renal Dysfunction.
이름 및 식별자
- 우선 이름
- Slv320
- IUPAC
- 4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
- 영어명
- Slv320
- 분자식
- C18H20N4O
- 분자량
- 308.38
이름 및 동의어
SLV320RefChem:1098586Derenofylline251945-92-3SLV 320SLV-320Derenofylline [INN]rel-(1r,4r)-4-((2-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexan-1-olCHEMBL592435O1Q96UZ63WCHEMBL4204703Cyclohexanol, 4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-, trans-
이름 더 보기
SC-204288SLV320 >=98% (HPLC)Derenofylline, 10 mM in DMSO4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexanol4-[(2-phenyl-7H-pyrrolo[2， 3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol(1R,4R)-4-(2-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexanol
trans-4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexanol4-((2-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexan-1-ol4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol1990532-34-7(1r,4r)-4-((2-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexan-1-olUNII-O1Q96UZ63WDerenofilina4-({2-PHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL}AMINO)CYCLOHEXAN-1-OL
데이터베이스 식별자
- CAS
251945-92-3- PubChem CID
- 9953065
- DTXSID
DTXSID30948047- ChEMBL
CHEMBL4204703、CHEMBL592435- UNII
- O1Q96UZ63W
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 73.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 379
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 532.3 · 532.3±60.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 용해도
- 100 mM · Soluble to 100 mM in DMSO and to 50 mM in ethanol
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 15.15 · 15.15±0.40(Predicted)
- 색상
- White to off-white
- InChI
- 1S/C18H20N4O/c23-14-8-6-13(7-9-14)20-18-15-10-11-19-17(15)21-16(22-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H2,19,20,21,22)
- InChIKey
- RBZNJGHIKXAKQE-UHFFFAOYSA-N
- SMILES
- O[C@H]1CC[C@@H](CC1)NC2=NC(C3=CC=CC=C3)=NC4=C2C=CN4
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Derenofylline is an adenosine A1 receptor antagonist (Ki = 1 nM). It is selective for adenosine A1 over A2A, A2B, and A3 receptors (Kis = 398, 3,981, and 200 nM, respectively). It decreases adenosine A1 receptor-mediated adenosine-induced bradycardia in rats (ED50 = 0.49 mg/kg) but reduces A2 receptor-mediated adenosine-induced hypotension by only 44.6% when administered at an intravenous dose of 5 mg/kg. It prevents increases in heart levels of collagen I and III in nephrectomized rats when administered at a dose of 10 mg/kg per day. Derenofylline also reduces relative plaque counts in a Zika virus plaque-forming assay in A549 cells (IC50 = 58.6 nM) in an adenosine A1 receptor-independent manner without inducing cytotoxicity when used at concentrations less than 10 μM.
용도SLV 320 is an A1 antagonist.
공급사36 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [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]
苏州美石生物科技有限公司1173954148q · [email protected]
晶墨(厦门)生物科技有限公司13621943973; 13621943973 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
BOC Sciences[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
ChemeGen 中国18818260767 · [email protected]
重庆卡兰医药有限公司[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…