2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
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기본 정보
- CAS
1255580-76-7- 표준 SMILES
COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1- InChIKey
QOECJCJVIMVJGX-UHFFFAOYSA-N- 분자식
- C30H47N5O2
- 평균 분자량
- 509.7 g/mol
- 단동위원소 질량
- 509.37297576
개요
UNC0638 is a member of the class of quinazolines that is quinazoline substituted by cyclohexyl, [1-(propan-2-yl)piperidin-4-yl]amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It inhibits G9a and GLP histone methyltransferase activity (IC50 = <15 nM and <20 nM, respectively). It has a role as an antiviral agent and an antineoplastic agent. It is an aromatic ether, a member of pyrrolidines, a member of quinazolines, an aminopiperidine, a secondary amino compound and a tertiary amino compound.
이름 및 식별자
- 우선 이름
- 2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
- IUPAC
- 2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
- 영어명
- UNC0638
- 분자식
- C30H47N5O2
- 분자량
- 509.73
이름 및 동의어
1255580-76-7UNC-06382-Cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine26A103L2FODTXSID301547872-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamineRefChem:1062936DTXCID5077278UNC0638UNC 06382-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine1255517-77-1
이름 더 보기
CS-565UNC0638/UNC-0638UNC0638, 10 mM in DMSOHMTase Inhibitor IV, UNC0638UNC0638, G9 and GLP histone methyltransferase inhibitor2-Cyclohexyl-N-(1-isopropyl-4-piperidinyl)-6-Methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinaMine2-Cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazoli
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amineMFCD222085872-cyclohexyl-6-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amineUNC 0638 hydrate4-Quinazolinamine, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-CHEMBL1231795UNC063812-cyclohexyl-N-(1-isopropyl-4-piperidyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
물성
구조 계산 물성보충 중
- XLogP
- 6.3
- 극성 표면적
- 62.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 660
물리화학적 성질
- 녹는점
- 93 · 93-94℃
- 끓는 점
- 610.2 · 610.2±55.0 °C(Predicted)
- 밀도
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 용해도
- 25.5 mg/mL · ≥25.5 mg/mL in DMSO; insoluble in H2O; ≥48.2 mg/mL in EtOH
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.07 · 10.07±0.20(Predicted)
- 색상
- White to yellow
- InChIKey
- QOECJCJVIMVJGX-UHFFFAOYSA-N
- SMILES
- CC(C)N(CC1)CCC1NC2=NC(C3CCCCC3)=NC4=C2C=C(C(OCCCN5CCCC5)=C4)OC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2-Cyclohexyl-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine, is a selective histone lysine methyltransferase (HMTase) inhibitor for G9a and GLP.
상·하류 제품 정보
상류 원료
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