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기본 정보
- CAS
729605-21-4- 표준 SMILES
Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)n1- InChIKey
NPHPNBGYPKBDDB-UHFFFAOYSA-N- 분자식
- C21H21ClN4O
- 평균 분자량
- 380.879 g/mol
- 단동위원소 질량
- 380.14038897
이름 및 식별자
- 우선 이름
- XRP44X
- IUPAC
- [4-(3-Chlorophenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-pyrazol-5-yl)methanone
- 영어명
- XRP44X
- 분자식
- C21H21ClN4O
- 분자량
- 380.87
이름 및 동의어
XRP44XXRP44X, 10 mM in DMSORas-Net (Elk-3) Pathway Inhibitor, XRP44XRas-Net (Elk-3) Pathway Inhibitor, XRP44X - CAS 729605-21-4 - Calbiochem[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone1-(3-Chlorophenyl)-4-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)carbonyl]piperazinePiperazine,1-(3-chlorophenyl)-4-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)carbonyl]-(4-(3-Chlorophenyl)piperazin-1-yl)(3-methyl-1-phenyl-1H-pyrazol-5-yl)methanone[4-(3-Chlorophenyl)piperazin-1-yl](5-methyl-2-phenyl-2H-pyrazol-3-yl)methanone[4-(3-Chlorophenyl)-1-piperazinyl](3-methyl-1-phenyl-1H-pyrazol-5-yl)-methanone
데이터베이스 식별자
- CAS
729605-21-4- PubChem CID
- 10339779
- DTXSID
DTXSID20438402- ChEMBL
CHEMBL3184174- ChEBI
CHEBI:93787- EC Number
- 684-708-0
물성
물리화학적 성질
- 녹는점
- 136 · 136-140 0C
- 끓는 점
- 591.1 · 591.1±50.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 저장 조건
- room temp
- 용해도
- 20 mg/mL · DMSO: ≥20mg/mL
- 산도 계수 (pKa)
- 1.79 · 1.79±0.20(Predicted)
- 물리적 상태
- 흰색 고체
- 색상
- 흰색에서 황백색까지
- InChI
- 1S/C21H21ClN4O/c1-16-14-20(26(23-16)18-7-3-2-4-8-18)21(27)25-12-10-24(11-13-25)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3
- InChIKey
- NPHPNBGYPKBDDB-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도XRP44X, is a Ras-Net (Elk-3) pathway inhibitor; tubulin polymerization inhibitor Colchicine binding site.XRP44X is used as an anti-cancer drug targeting epidermal growth factor receptor.
일반 설명A cell-permeable pyrazole compound that is shown to prevent in vitro tubulin polymerization (IC50 = 0.2 μM) by targeting Colchicine (Cat. No. 234115) binding site (Kd = 0.3 μM) in cell-free assays and induce blebs formation in HUVEC cultures by perturbing both tubulin microtubles and actin cytoskeleton structures. Unrelated to its effects on actin and tubulin filaments, XRP44X is also reported to block the activations of Ras and its downstream effector molecules, such as Raf, MEK, Erk, Rsk, and Net (Elk-3/SAP-2/Erp), upon FGF-2 (Cat. No. 341595) stimulation. Potently inhibits the growth of HUVEC, NIH3T3, as well as 9 other cancer cell lines in antiproliferation assays (IC50 ≤11.3 nM).
상·하류 제품 정보
상류 원료
공급사29 곳
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
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