Regrelor
기본 정보
- CAS
787548-03-2- 표준 SMILES
CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21- InChIKey
NXHAXEBZOXCDKD-XIXRRVGJSA-N- 분자식
- C22H25N6O8P
- 평균 분자량
- 532.4 g/mol
- 단동위원소 질량
- 532.14714877
개요
a P2Y12 antagonist and platelet aggregation inhibitor
이름 및 식별자
- 우선 이름
- Regrelor
- IUPAC
- [(2S,3aR,4R,6R,6aR)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
이름 및 동의어
RegrelorRegrelor [INN]UNII-Q6C8TY6SW1Q6C8TY6SW1INS-50589DTXSID80229272INS 50589[(2S,3aR,4R,6R,6aR)-6-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl dihydrogen phosphateADENOSINE, N-((ETHYLAMINO)CARBONYL)-2',3'-O-((1S,2E)-3-PHENYL-2-PROPENYLIDENE)-, 5'-(DIHYDROGEN PHOSPHATE)N-(ETHYLCARBAMOYL)-2',3'-O-((1S,2E)-3-PHENYLPROP-2-EN-1-YLIDENE)ADENOSINE 5'-(DIHYDROGEN PHOSPHATE)regrelorum(((2S,3aR,4R,6R,6aR)-6-(6-((ethylcarbamoyl)amino)-9H-purin-9-yl)-2-(2-phenylethenyl)-tetrahydro-2H-furo(3,4-d)(1,3)dioxol-4-yl)methoxy)phosphonic acid
이름 더 보기
((2S,3aR,4R,6R,6aR)-6-(6-(ethylcarbamoylamino)purin-9-yl)-2-((E)-2-phenylethenyl)-3a,4,6,6a-tetrahydrofuro(4,3-d)(1,3)dioxol-4-yl)methyl dihydrogen phosphate{[(2S,3aR,4R,6R,6aR)-6-{6-[(ethylcarbamoyl)amino]-9H-purin-9-yl}-2-(2-phenylethenyl)-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methoxy}phosphonic acidN-(Ethylcarbamoyl)-2',3'-O-[(1S,2E)-3-phenylprop-2-en-1-ylidene]adenosine 5'-(dihydrogen phosphate)RefChem:178742DTXCID00151763INS50589787548-03-2CHEMBL1162175
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 179 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 872
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds that bind to and block the stimulation of PURINERGIC P2 RECEPTORS.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…