Sufugolix
기본 정보
- CAS
388563-81-3- 표준 SMILES
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1- InChIKey
UCQSBGOFELXYIN-UHFFFAOYSA-N- 분자식
- C36H31F2N5O4S
- 평균 분자량
- 667.7 g/mol
이름 및 식별자
- 우선 이름
- Sufugolix
- IUPAC
- 1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
- 영어명
- 3-[4-[7-[(benzyl-methyl-amino)methyl]-2-[(2,6-difluorophenyl)methyl]-3 ,5-dioxo-4-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-7,10-dien-8-yl]ph enyl]-1-methoxy-urea
- 분자식
- C36H31F2N5O4S
- 분자량
- 667.7242464
이름 및 동의어
Sufugolix308831-61-0TAK-013Sufugolix [INN:BAN]TAK 01356S17Z6X9MSUFUGOLIX [INN]DTXSID401848931-[4-(5-{[BENZYL(METHYL)AMINO]METHYL}-1-[(2,6-DIFLUOROPHENYL)METHYL]-2,4-DIOXO-3-PHENYL-1H,2H,3H,4H-THIENO[2,3-D]PYRIMIDIN-6-YL)PHENYL]-3-METHOXYUREA1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(methyl-(phenylmethyl)amino)methyl]-2,4-dioxo-3-phenylthieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyurea5-((BENZYL(METHYL)AMINO)METHYL)-1-(2,6-DIFLUOROBENZYL)-6-(4-(3-METHOXYUREIDO)PHENYL)-3-PHENYLTHIENO(2,3-D)PYRIMIDINE-2,4(1H,3H)-DIONE5-(N-Benzyl-N-methylaminomethyl)-1-(2,6-difluorobenzyl)-6-(4-(3-methoxyureido)phenyl)-3-phenylthieno(2,3-d)pyrimidine-2,4(1H,3H)-dione
이름 더 보기
3-[4-[7-[(benzyl-methyl-amino)methyl]-2-[(2,6-difluorophenyl)methyl]-3 ,5-dioxo-4-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-7,10-dien-8-yl]ph enyl]-1-methoxy-urea
Urea, N-(4-(1-((2,6-difluorophenyl)methyl)-1,2,3,4-tetrahydro-5-((methyl(phenylmethyl)amino)methyl)-2,4-dioxo-3-phenylthieno(2,3-d)pyrimidin-6-yl)phenyl)-N'-methoxy-sufugolixum1-(4-(1-((2,6-difluorophenyl)methyl)-5-((methyl-(phenylmethyl)amino)methyl)-2,4-dioxo-3-phenylthieno(4,5-e)pyrimidin-6-yl)phenyl)-3-methoxyurea1-(4-(5-((benzyl(methyl)amino)methyl)-1-((2,6-difluorophenyl)methyl)-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno(2,3-d)pyrimidin-6-yl)phenyl)-3-methoxyurea5-{(Benzyl(methyl)amino)methyl}-1-(2,6-difluorobenzyl)-6-(4-(3-methoxyureido)phenyl)-3-phenylthieno(2,3-d)pyrimidine-2,4(1H,3H)-dioneUrea, N-[4-[1-[(2,6-difluorophenyl)methyl]-1,2,3,4-tetrahydro-5-[[methyl(phenylmethyl)amino]methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-N'-methoxy-RefChem:889481DTXCID80107384
데이터베이스 식별자
- CAS
388563-81-3- ChEMBL
CHEMBL22055- UNII
- 56S17Z6X9M
- Nikkaji
- J3.791.759A
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,090
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP4.04
화학 및 산업
약리 정보
Mechanism of Action
Endometriosis is a painful, fertility threatening condition that is a result of tissue similar to that found in the womb lining growing elsewhere in the pelvis. The condition is sex hormone dependent, with gonadotropin releasing hormone (GnRH), a hypothalamic decapeptide amide that plays an important part in the regulation of reproductive processes, being implicated. TAK-013 behaves as an insurmountable antagonist at the human receptor (hGnRHR). It suppresses gonadotropin release.
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