기본 정보
- CAS
308831-61-0- 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
- 단동위원소 질량
- 667.20648191
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
- 현지명
- 수후골릭스
- 영어명
- SUFUGOLIX
- 분자식
- C36H31F2N5O4S
- 분자량
- 667.72
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
수후골릭스TAK013tak-013, >98%TAK013SUFUGOLIX, >98%Sufugolix(TAK-013)Sufugolix, 10 mM in DMSOTAK 013,Inhibitor,Sufugolix,inhibit,TAK013N-(4-(5-((benzyl(methyl)amino)methyl)-1-(2,6-difluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea
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
물리화학적 성질
- 밀도
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C,unstable · Store at -20°C,unstable in solution, ready to use.
- 용해도
- 5 mg/mL; · DMF: 5mg/mL; DMF:PBS (pH 7.2) (1:2): 0.3mg/mL; DMSO: 3mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.2 · 13.20±0.70(Predicted)
- 색상
- Light yellow to yellow
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
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.
응용 분야
개요Sufugolix is a gonadotropin-releasing hormone (GnRH) receptor antagonist (IC50 = 0.1 nM). Sufugolix inhibits GnRH-induced arachidonic acid (Item Nos. 90010 | 90010.1 | 10006607) release in CHO cells expressing human recombinant or monkey recombinant GnRH (IC50s = 0.1 and 10 nM, respectively), but not the rat GnRH receptor. It inhibits luteinizing hormone (LH) release stimulated by GnRH in monkey pituitary cells ex vivo (IC50 = 36 nM). Sufugolix (10 and 30 mg/kg) reduces increases in plasma LH following castration in male cynomolgus monkeys and lowers serum LH, estradiol, and progesterone levels in female cynomolgus monkeys when administered at a dose of 90 mg/kg.
공급사48 곳
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
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