기본 정보
- CAS
165806-53-1- 표준 SMILES
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1- InChIKey
VSPFURGQAYMVAN-UHFFFAOYSA-N- 분자식
- C18H19FN6
- 평균 분자량
- 338.4 g/mol
- 단동위원소 질량
- 338.16552279
개요
SB220025 is am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively. It has a role as an angiogenesis inhibitor, an anti-inflammatory agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of imidazoles, a member of piperidines, an organofluorine compound and an aminopyrimidine.
이름 및 식별자
- 우선 이름
- SB-220025
- IUPAC
- 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine
- 영어명
- SB 220025
- 분자식
- C18H19FN6
- 분자량
- 338.38
이름 및 동의어
SB220025165806-53-1sb 2200253erkSB-220025MX95H97VRGCHEBI:82713RefChem:1815884-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLECHEMBL2740644-[5-(4-fluorophenyl)-3-(4-piperidyl)imidazol-4-yl]pyrimidin-2-amine
이름 더 보기
5-(2-AMINO-4-PYRIMIDINYL)-4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)IMIDAZOLE5-(2-AMINO-4-PYRIMIDINYL)-4-(4-FLUOROPHENYL)-1-(4-PIPERIDINLYL)IMIDAZOLE2-Pyrimidinamine, 4-[4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]-
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine4-(4-(4-Fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl)-2-pyrimidinamine4-[4-(4-Fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl]-2-pyrimidinamine2-Pyrimidinamine, 4-(4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl)-SB-220025-ASB-220025-R1-(4-piperidinyl)-4-(4-fluorophenyl)-5-(2-(amino)-4-pyrimidinyl)imidazole1-(4-piperidinyl)-4-(4-fluorophenyl)-5-[2-(amino)-4-pyrimidinyl]imidazole
데이터베이스 식별자
- CAS
165806-53-1- PubChem CID
- 5164
- ChEMBL
CHEMBL274064- ChEBI
CHEBI:82713- UNII
- MX95H97VRG
- EC Number
- 827-712-1
- Nikkaji
- J1.634.061H
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 81.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 424
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 611.9 · 611.9±65.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 22 mg/mL · DMSO: 22mg/mL
- 산도 계수 (pKa)
- 9.92 · 9.92±0.10(Predicted)
- 물리적 상태
- 흰색에서 옅은 호박색 고체.
- 색상
- white to pale yellow
- InChI
- 1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
- InChIKey
- VSPFURGQAYMVAN-UHFFFAOYSA-N
- SMILES
- Fc1ccc(cc1)c2nc[n](c2c4nc(ncc4)N)C3CCNCC3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- WGK 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사12 곳
Aladdin Scientific[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
滁州市科迈尔化工科技有限公司0550-5196001 15000891977 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
安庆研至医药科技有限公司18055651951 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
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