기본 정보
- CAS
844873-47-8- 표준 SMILES
COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)[C@@H](O)[C@H]4O)c3n2)CC1- InChIKey
SQJXTUJMBYVDBB-RQXXJAGISA-N- 분자식
- C23H29N7O6
- 평균 분자량
- 499.5 g/mol
- 단동위원소 질량
- 499.21793167
개요
Evodenoson has been used in trials studying the treatment of Open-angle Glaucoma and Ocular Hypertension.
이름 및 식별자
- 우선 이름
- Evodenoson
- IUPAC
- methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate
- 영어명
- Evodenoson
- 분자식
- C23H29N7O6
- 분자량
- 499.52
이름 및 동의어
EVODENOSON844873-47-8ATL-313ATL313DE-112ATL 313HZ03U10J2Zmethyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylateDTXSID40233476evodenosonummethyl 4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl)-9H-purin-2-yl)prop-2-yn-1-yl)piperidine-1-carboxylatemethyl 4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl)purin-2-yl)prop-2-ynyl)piperidine-1-carboxylate
이름 더 보기
DE1121-Piperidinecarboxylic acid, 4-[3-[6-amino-9-(N-cyclopropyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]-2-propyn-1-yl]-, methyl estermethyl 4-(3-(6-amino-9-((2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-yn-1-yl)piperidine-1-carboxylatemethyl 4-(3-(6-amino-9-((2R,3S,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-yl)prop-2-yn-1-yl)piperidine-1-carboxylate
methyl 4-(3-{6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-9H-purin-2-yl}prop-2-yn-1-yl)piperidine-1-carboxylateRefChem:139676Atl313, de-112DTXCID40155967Evodenoson [USAN:INN]UNII-HZ03U10J2ZDE 112EVODENOSON [INN]
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 178 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 898
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 131.6 · 131.6-134.9 °C
- 밀도
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 12.84 · 12.84±0.70(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사8 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
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