Crenolanib Besylate
기본 정보
- CAS
670220-93-6- 표준 SMILES
CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1.O=S(=O)(O)c1ccccc1- InChIKey
ARQUTWAXTHJROR-UHFFFAOYSA-N- 분자식
- C32H35N5O5S
- 평균 분자량
- 601.7 g/mol
- 단동위원소 질량
- 601.23589041
개요
Crenolanib Besylate is the besylate salt form of crenolanib, an orally bioavailable benzimidazole targeting the platelet-derived growth factor receptor (PDGFR) subtypes alpha and beta and FMS-related tyrosine kinase 3 (Flt3), with potential antineoplastic activity. Upon oral administration, crenolanib binds to and inhibits both wild-type and mutated forms of PDGFR and Flt3, which may result in the inhibition of PDGFR- and Flt3-related signal transduction pathways. This results in inhibition of tumor angiogenesis and tumor cell proliferation in PDGFR and/or Flt3 overexpressing tumor cells. PDGFR and Flt3, class III receptor tyrosine kinases, are upregulated or mutated in many tumor cell types.
이름 및 식별자
- 우선 이름
- Crenolanib Besylate
- IUPAC
- benzenesulfonic acid;1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
- 영어명
- Crenolanib
- 분자식
- C32H35N5O5S
- 분자량
- 601.72
이름 및 동의어
CRENOLANIB BESYLATECrenolanib besilateCrenolanib besylate [USAN]ARO-002-26UNII-MC4B01024KMC4B01024KCP-868,596-26Crenolanib besylate (USAN)CP-868596-26CRENOLANIB BESILATE [WHO-DD]4-Piperidinamine, 1-(2-(5-((3-methyl-3-oxetanyl)methoxy)-1H-benzimidazol-1-yl)-8-quinolinyl)-, benzenesulfonate (1:1)(1-(2-(5-(3-Methyloxetan-3-ylmethoxy)benzimidazol-1-yl)quinolin-8-yl)piperidin-4-yl)amine Monobenzenesulfonate
이름 더 보기
1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine. PhSO3H1-(2-(5-((3-Methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine benzenesulfonate1-(2-(5-((3-Methyloxetan-3-yl)methoxy)-1H-benzimidazol-1-yl)quinolin-8-yl)piperidin-4- amine monobenzenesulfonate[1-[2-[5-[(3-Methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]amine mono(benzenesulfonate)
[1-[2-[5-(3-Methyloxetan-3-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]amine Monobenzenesulfonate4-Piperidinamine, 1-(2-(5-((3-methyl-3-oxetanyl)methoxy)-1Hbenzimidazol-1-yl)-8-quinolinyl)-, Benzenesulfonate (1:1)4-Piperidinamine, 1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1H-benzimidazol-1-yl]-8-quinolinyl]-, benzenesulfonate (1:1)4-Piperidinamine, 1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1Hbenzimidazol-1-yl]-8-quinolinyl]-, Benzenesulfonate (1:1)RefChem:128440CP-86859626596-26670220-93-6
물성
구조 계산 물성
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 851
화학 및 산업
응용 분야
용도Crenolanib (CP-868569) is a highly selective and potent PDGFR-α inhibitor with IC50 of 0.9 and 1.8 nM against PDGFRα and PDGFRβ, respectively.
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