Lhc-165
기본 정보
- CAS
1258595-14-0- 표준 SMILES
Cc1cc(OCCOCCC(F)(F)P(=O)(O)O)ccc1CCc1cnc2c(N)nc3cc(CCC(=O)O)ccc3c2c1- InChIKey
SDLWKRZBLTZSEL-UHFFFAOYSA-N- 분자식
- C29H32F2N3O7P
- 평균 분자량
- 603.5 g/mol
개요
TLR7 Agonist LHC165 is a benzonapthyridine Toll-like receptor (TLR) 7 agonist that is adsorbed to aluminum hydroxide with immunostimulating and potential antitumor activities. Upon intratumoral administration of TLR7 agonist LHC165, the agent is slowly released and targets, binds to and activates TLR7. This may trigger, in addition to other possible responses, the activation of cluster of differentiation (CD) 8+ T cells and natural killer (NK) cells, the blockage of the suppressive function of regulatory T cells (Tregs), and the production of interferon alpha (IFNa). TLR7 is a member of the TLR family, which plays a fundamental role in pathogen recognition and activation of innate immunity.
이름 및 식별자
- 우선 이름
- Lhc-165
- IUPAC
- 3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid
- 영어명
- Benzo[f][1,7]naphthyridine-8-propanoic acid, 5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]-
- 분자식
- C29H32F2N3O7P
- 분자량
- 603.55
이름 및 동의어
LHC-165LHC165UNII-RD02U4QLM1Benzo(F)(1,7)naphthyridine-8-propanoic acid, 5-amino-2-(2-(4-(2-(3,3-difluoro-3-phosphonopropoxy)ethoxy)-2-methylphenyl)ethyl)-RefChem:153264TLR7 Agonist LHC165LHC 1651258595-14-0RD02U4QLM13-(5-amino-2-(4-(2-(3,3-difluoro-3-phosphonopropoxy)ethoxy)-2-methylphenethyl)benzo[f][1,7]naphthyridin-8-yl)propanoic acid3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acidSCHEMBL174281
이름 더 보기
LHC 165,LHC165Benzo[f][1,7]naphthyridine-8-propanoic acid, 5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]-
orb1707070C29H32F2N3O7PCHEMBL6027253SCHEMBL29413224SCHEMBL29454511US9597326, Compound 20BDBM301804IAC59514
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 928
물리화학적 성질
- 끓는 점
- 829.8 · 829.8±75.0 °C(Predicted)
- 밀도
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C, · Store at -20°C, stored under nitrogen
- 용해도
- 1 M · 1M NaOH : 50 mg/mL (82.84 mM; ultrasonic and adjust pH to 12 with NaOH)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 1.19 · 1.19±0.10(Predicted)
- 색상
- Light yellow to yellow
관련 반응
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