기본 정보
- CAS
694433-59-5- 표준 SMILES
Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1- InChIKey
WGZOTBUYUFBEPZ-UHFFFAOYSA-N- 분자식
- C20H21N3O2
- 평균 분자량
- 335.4 g/mol
- 단동위원소 질량
- 335.16337692
개요
SB 505124 is a member of the class of imidazoles carrying tert-butyl, 1,3-benzodioxol-5-yl and 6-methylpyridin-2-yl substituents at positions 2, 4 and 5 respectively. It has a role as a TGFbeta receptor antagonist. It is a member of imidazoles, a member of methylpyridines and a benzodioxole.
이름 및 식별자
- 우선 이름
- SB-505124
- IUPAC
- 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine
- 영어명
- 2-(5-Benzo[1,3]dioxol-5-yl-2-tert-butyl-3H-imidazol-4-yl)-6-methylpyridine hydrate hydrochloride
- 분자식
- C20H21N3O2
- 분자량
- 335.4
이름 및 동의어
694433-59-5SB-505124DTXSID50431926RefChem:931367DTXCID40382756SB5051242-(4-(benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl)-6-methylpyridineSB 505124MFCD20926329TGF-beta RI Inhibitor III2-(4-(benzo[d][1,3]dioxol-5-yl)-2-(tert-butyl)-1H-imidazol-5-yl)-6-methylpyridine2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine
이름 더 보기
SB-505124 hydrochloride hydrateCS-872SB505124 ，S2186SB-505124, 10 mM in DMSOSB 505124, ALK5 inhibitorSB-505124 hydrate hydrochlorideSB-505124 hydrochloride hydrate SB505124SB-505124, 98%, a selective inhibitor of TGFβR for ALK4, ALK5
SCHEMBL373422CHEMBL226838HMS3655F082-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridineCCG-267861AS-746792-(5-benzo[1,3]dioxol-5-yl-2-tert-butyl-3h-imidazol-4-yl)-6-methylpyridine2-[4-(1,3-Benzodioxol-5-yl)-2-(1,1-dimethylethyl)-1H-imidazol-5-yl]-6-methylpyridine
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 60 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 466
물리화학적 성질
- 녹는점
- 168 °C · 168 °C
- 끓는 점
- 509.7 · 509.7±50.0 °C(Predicted)
- 밀도
- 1.202 · 1.202
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 10 mg/mL · DMSO: >10mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 11.26 · 11.26±0.10(Predicted)
- 색상
- 노란색
- InChI
- 1S/C20H21N3O2.ClH.H2O/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15;;/h5-10H,11H2,1-4H3,(H,22,23);1H;1H2
- InChIKey
- DIDCCMVWCVRTNB-UHFFFAOYSA-N
- SMILES
- O.Cl.Cc1cccc(n1)-c2[nH]c(nc2-c3ccc4OCOc4c3)C(C)(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요SB-505124 inhibits the TGF-β1 receptor serine/threonine kinase ALK5 with an IC50 value of 47 nM. Though it is a less potent antagonist of ALK4 (IC50 = 129 nM) and ALK7, SB-505124 selectively and concentration-dependently inhibits ALK4-, ALK5-, and ALK7-dependent activation of downstream SMAD2 and SMAD3 and TGF-β–induced MAP kinase pathway components without altering ALK1-3 or ALK6-induced SMAD signaling. In an assay determining in vitro phosphorylation of SMAD3, SB-505124 is more potent than SB-431452 with IC50 values of 47 versus 94 nM, respectively.
용도SB-505124 is a selective inhibitor of transforming growth factor-beta type I receptor ALK5 and as well as being a selective inhibitor of ALK4 but with less potency. SB-505124 blocks TGF-β–induced apoptosis of FaO cells and NRP 154 cells in a concentration-dependent manner. SB-505124 has been shown to suppress the migration and invasion of breast cancer MCF-7-M5 cells.
공급사100 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
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