기본 정보
- CAS
37300-21-3- 표준 SMILES
O=S(=O)(O)O[C@@H]1[C@@H](OS(=O)(=O)O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)OC[C@H]1O- InChIKey
FCCNSUIJIOOXEZ-SJYYZXOBSA-N- 분자식
- C10H18O21S4
- 평균 분자량
- 602.5 g/mol
- 단동위원소 질량
- 601.92234227
개요
[(2R,3R,4S,5R)-2-Hydroxy-5-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulfooxy)oxan-2-yl]oxy}-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid is a glycoside.
이름 및 식별자
- 우선 이름
- Xylan Sulfate
- IUPAC
- [(2R,3R,4S,5R)-2-hydroxy-5-[(2S,3R,4S,5R)-5-hydroxy-3,4-disulfooxyoxan-2-yl]oxy-3-sulfooxyoxan-4-yl] hydrogen sulfate
- 영어명
- Pentosan Sulfuric Polyester
- 분자식
- C10H18O21S4
- 분자량
- 0
이름 및 동의어
37300-21-3Xylan, hydrogen sulfateF59P8B75R4[(2S,3R,4S,5R)-5-hydroxy-2-{[(3R,4S,5R,6R)-6-hydroxy-4,5-bis(sulfooxy)oxan-3-yl]oxy}-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acidXylan hydrogen sulfateXylan Sulfate((2S,3R,4S,5R)-5-hydroxy-2-(((3R,4S,5R,6R)-6-hydroxy-4,5-bis(sulfooxy)oxan-3-yl)oxy)-4-(sulfooxy)oxan-3-yl)oxidanesulfonic acidRefChem:8526GlyTouCan:G69706YRDTXSID601026229G69706YRCB-8061
이름 더 보기
ElmironXylan polysulfateXylofuranan sulfatePENTOSAN POLYSULFATE SODPentosan Sulfuric Polyester[(2R,3R,4S,5R)-2-hydroxy-5-[(2S,3R,4S,5R)-5-hydroxy-3,4-disulfooxy-oxan-2-yl]oxy-3-sulfooxy-oxan-4-yl] hydrogen sulfatesulfuric acid [(2R,3R,4S,5R)-2-hydroxy-5-[(2S,3R,4S,5R)-5-hydroxy-3,4-disulfoxy-tetrahydropyran-2-yl]oxy-3-sulfoxy-tetrahydropyran-4-yl] ester
140207-92-7[(2R,3R,4S,5R)-2-hydroxy-5-[(2S,3R,4S,5R)-5-hydroxy-3,4-disulfooxyoxan-2-yl]oxy-3-sulfooxyoxan-4-yl] hydrogen sulfate11096-31-4UNII-F59P8B75R42763886-11-7Pentosan PolysulfonateSCHEMBL157354CHEMBL4073796
물성
구조 계산 물성
- XLogP
- -5.6
- 극성 표면적
- 356 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 1,140
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP-8
Solubility3.49e+00 g/L
Physical DescriptionSolid
물리화학적 성질
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
약리 정보
PharmacodynamicsPentosan polysulfate sodium is a low molecular weight heparin-like compound. It has anticoagulant and fibrinolytic effects.
Mechanism of Action
Pentosan polysulfate is a polymer of xylose hydrogen sulfate and contains two sulfate groups per carbohydrate monomer. It binds Fibroblast growth factors (FGFs) as well as other heparin-binding growth factors. It has been shown to interact also with the heparin-binding site of FGFR-1. It inhibits the growth of SW13 adrenocortical cells transfected with FGF-4 and tumorigenicity of MCF-7 breast carcinoma cells transfected with FGF-1 or FGF-4.
Biological Half-Life4.8 hours
FDA Pharmacological Classification
F59P8B75R4
PENTOSAN POLYSULFATE
Established Pharmacologic Class [EPC] - Glycosaminoglycan
Chemical Structure [CS] - Glycosaminoglycans
Pentosan polysulfate is a Glycosaminoglycan.
MeSH Pharmacological ClassificationAgents that prevent BLOOD CLOTTING.
Absorption, Distribution and ExcretionSlow
응용 분야
역사Pentosan polysulfate sodium (Elmiron) was synthesized at Baker Norton Pharmaceuticals in the early 1980s as a heparin analogue for interstitial cystitis; after orphan designation (1985) and compassionate use (1986–1995) it received FDA approval on 26 September 1996 under an NDA that listed no individually named inventors, and its efficacy was later questioned when the first controlled trial (Nickel, 2014) proved negative.
공급사12 곳
成都超九八生物科技有限公司
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