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기본 정보
- CAS
1126084-37-4- 표준 SMILES
COc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)cc2c1- InChIKey
OXSCPDKUZWPWFR-UHFFFAOYSA-N- 분자식
- C19H26N2O3
- 평균 분자량
- 330.4 g/mol
개요
17beta-Hydroxysteroid Dehydrogenase Type 5 Inhibitor ASP9521 is a selective, orally bioavailable inhibitor of 17beta-hydroxysteroid dehydrogenase type 5 (17bHSD5, aldo-keto reductase 1C3; AKR1C3), with potential antineoplastic activity. Upon administration, ASP9521 selectively binds to and inhibits the activity of 17bHSD5. This prevents the conversion of the adrenal androgens dehydroepiandrosterone and androstenedione into 5-androstenediol and testosterone. By blocking testosterone production, ASP9521 may inhibit the growth of testosterone-dependent cancers such as castration-resistant prostate cancer (CRPC). 17bHSD5, expressed both in normal prostate tissue and in prostate cancer (PC), plays a crucial role in persistent production of androgens despite castration; its expression is associated with increased malignancy of PC.
이름 및 식별자
- 우선 이름
- Asp-9521
- IUPAC
- [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
- 영어명
- Asp-9521
- 분자식
- C19H26N2O3
- 분자량
- 330.42
이름 및 동의어
ASP-95211126084-37-4ASP9521ASP 9521AA79G37CPRRefChem:114606(4-(2-Hydroxy-2-methylpropyl)piperidin-1-yl)(5-methoxy-1H-indol-2-yl)methanoneCHEMBL45135101-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-methylpropan-2-olAS-55988HY-199031-[1-[(5-Methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl]-2-methylpropan-2-ol
이름 더 보기
ASP-9521, >98%17HSD5 inhibitorAKR1C3 inhibitorASP-9521, 10 mM in DMSOASP 9521. AKR1C3 inhibitorInhibitor,inhibit,ASP-9521,ASP 9521AKR1C3 INHIBITOR17??HSD5 INHIBITORASP 9521. AKR1C3 INHIBITOR17HSD5 INHIBITOR
A11900(4-(2-hydroxy-2-methylpropyl)piperidin-1-yl)(5-methoxy-1H-indol-2-yl)methanone.[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone(4-(2-Hydroxy-2-methylpropyl)-1-piperidinyl)(5-methoxy-1H-indol-2-yl)methanone1-{1-[(5-methoxy-1h-indol-2-yl)carbonyl] piperidin-4-yl}-2-methylpropan-2-olMethanone, (4-(2-hydroxy-2-methylpropyl)-1-piperidinyl)(5-methoxy-1H-indol-2-yl)-BCP20729MFCD30532740
물성
구조 계산 물성보충 중
- XLogP
- 2.8
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 446
물리화학적 성질
- 끓는 점
- 543.9 · 543.9±30.0 °C(Predicted)
- 밀도
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 52.26 · DMSO:52.26(Max Conc. mg/mL);158.16(Max Conc. mM)DMF:10.0(Max Conc. mg/mL);30.26(Max Conc. mM)DMF:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.51(Max Conc. mM)Ethanol:36.35(Max Conc. mg/mL);110.01(Max Conc. mM)
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 15.23 · 15.23±0.29(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 H302
화학 및 산업
응용 분야
개요ASP9521 is an inhibitor of 17β-hydroxysteroid dehydrogenase type 5/aldo-keto reductase 1C3 (17β-HSD5/AKR1C3; IC50 = 120 nM). It is selective for 17β-HSD5/AKR1C3 over AKR1C2 (IC50 = 20 μM). ASP9521 inhibits conversion of androstenedione into testosterone by 17β-HSD5/AKR1C3 (IC50s = 11 and 49 nM for human and cynomolgus monkey enzymes, respectively). It inhibits androstenedione-dependent production of prostate specific androgen (PSA) in and proliferation of LNCaP cells expressing 17β-HSD5/AKR1C3. ASP9521 (3 and 10 mg/kg) inhibits androstenedione-induced intratumor testosterone production in a CWR22R prostate cancer mouse xenograft model.
공급사50 곳
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海波以尔化工有限公司[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海瀚香生物科技有限公司
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