기본 정보
- CAS
222315-88-0- 표준 SMILES
CCCCCCCCOCCOC(=O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)OCCOCCCCCCCC- InChIKey
FTGBVHPWUIHWRH-UHFFFAOYSA-N- 분자식
- C42H64N2O12
- 평균 분자량
- 789 g/mol
- 단동위원소 질량
- 788.44592548
개요
DP-b99 is a newly developed lipophilic, cell permeable derivative of BAPTA (1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid), that is under development as a neuroprotectant for the potential treatment of stroke, head trauma and neurological damage associated with coronary artery bypass graft.
이름 및 식별자
- 우선 이름
- DP-b99
- IUPAC
- 2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid
- 현지명
- N,N'-[1,2-에탄디일비스(옥시-2,1-페닐렌)]비스[N-(카르복시메틸)글리신1,1'-비스[2-(옥틸옥시)에틸]에스테르
- 영어명
- N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine 1,1'-bis[2-(octyloxy)ethyl] ester
- 분자식
- C42H64N2O12
- 분자량
- 788.96
이름 및 동의어
DP-b99343340-21-6RefChem:590421222315-88-0DP-b 99DP-b-99DP-B99 free acidDP-B-99 free acidDP-B 99 Free acidTDX7IXK9CUDp-bapta-99 free acidUNII-TDX7IXK9CU
이름 더 보기
N,N'-[1,2-에탄디일비스(옥시-2,1-페닐렌)]비스[N-(카르복시메틸)글리신1,1'-비스[2-(옥틸옥시)에틸]에스테르DPBAPTA-99DP-BAPTA-99Glycine, N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)-, 1,1'-bis[2-(octyloxy)ethyl] ester
2,2'-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis((2-(2-(octyloxy)ethoxy)-2-oxoethyl)azanediyl))diacetic acidN,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine 1,1'-bis[2-(octyloxy)ethyl] ester2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid1,2-Bis(2-aminophenoxy)ethane-N,N-di(2-octyloxyethyl acetate)-N,N-diacetic acidGlycine, N,N'-(1,2-ethanediylbis(oxy-2,1-phenylene))bis(N-(carboxymethyl)-, 1,1'-bis(2-(octyloxy)ethyl) esterCID 9810955SCHEMBL720046orb1697362
데이터베이스 식별자
- CAS
222315-88-0- PubChem CID
- 9810955
- DTXSID
DTXSID20187908- UNII
- TDX7IXK9CU
- Nikkaji
- J1.518.643G
물성
구조 계산 물성
- XLogP
- 9.4
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 37
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 969
물리화학적 성질
- 녹는점
- 121 · 121-122 °C
- 끓는 점
- 864.8 · 864.8±65.0 °C(Predicted)
- 밀도
- 1.161 · 1.161
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 2 · 2.00±0.10(Predicted)
- 색상
- White to light yellow
- InChIKey
- FTGBVHPWUIHWRH-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=CC=C1N(CC(O)=O)CC(OCCOCCCCCCCC)=O)COC1=CC=CC=C1N(CC(O)=O)CC(OCCOCCCCCCCC)=O
화학 및 산업
약리 정보
Mechanism of Action
DP-b99 is a discovery product, rationally designed using D-Pharm’s proprietary technology, Membrane Active Chelators (MAC). Considerable evidence suggests that redistribution of metal ions and disturbances in metal ion homeostasis are key components in the cascade of events underlying cell damage in stroke. In the first hours post-stroke ion disturbances cause excitatory cell damage and in the days and weeks following they contribute to edema, inflammation and cell death. DP-b99 is a novel approach to neuroprotection based on selective modulation of calcium, zinc, copper and iron homeostasis in the vicinity of cell membranes.
공급사6 곳
上海瑞诗化工有限公司86-021-54933292 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
上海智乾生物科技有限公司[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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