드리나반트
Drinabant
기본 정보
- CAS
358970-97-5- 표준 SMILES
CS(=O)(=O)N(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1- InChIKey
IQQBRKLVEALROM-UHFFFAOYSA-N- 분자식
- C23H20Cl2F2N2O2S
- 평균 분자량
- 497.4 g/mol
- 단동위원소 질량
- 496.0590608
개요
AVE-1625 is an oral selective and potent antagonist of cannabinoid 1 (CB1) receptors having the same mechanism of action as rimonabant. It is currently developed in obesity and its associated comorbidities. AVE-1625 is also being developed for the treatment of Alzheimer disease.
이름 및 식별자
- 우선 이름
- Drinabant
- IUPAC
- N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide
- 현지명
- 드리나반트
- 영어명
- Drinabant
- 분자식
- C23H20Cl2F2N2O2S
- 분자량
- 497.38
이름 및 동의어
Drinabant358970-97-5AVE162561S98RLL5IDTXSID50189455drinabantumRefChem:135820DTXCID80111946AVE-1625Drinabant [INN]AVE 1625N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide
이름 더 보기
드리나반트Methanesulfonamide, N-[1-[bis(4-chlorophenyl)methyl]-3-azetidinyl]-N-(3,5-difluorophenyl)-
N-(1-(bis(4-chlorophenyl)methyl)azetidin-3-yl)-N-(3,5-difluorophenyl)methanesulfonamideUNII-61S98RLL5IC23H20Cl2F2N2O2Sn-{1-[bis(4-chlorophenyl)methyl]azetidin-3-yl}-n-(3,5-difluorophenyl)methanesulfonamideDRINABANT [WHO-DD]SCHEMBL684143orb1704941CHEMBL3545166
데이터베이스 식별자
- CAS
358970-97-5- PubChem CID
- 10278470
- DTXSID
DTXSID50189455- ChEMBL
CHEMBL3545166- UNII
- 61S98RLL5I
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 49 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 686
물리화학적 성질
- 끓는 점
- 581.7 · 581.7±60.0 °C(Predicted)
- 밀도
- 1.458 · 1.458
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 0.15 mg/ml · ≤0.15mg/ml in ethanol;15mg/ml in DMSO;15mg/ml in dimethyl formamide
- 물리적 상태
- 결정질 고체
- 산도 계수 (pKa)
- 5.44 · 5.44±0.10(Predicted)
- 색상
- White to off-white
화학 및 산업
약리 정보
Mechanism of ActionAVE-1625 is a selective and potent antagonist of cannabinoid 1 (CB1) receptors having the same mechanism of action as rimonabant.
응용 분야
개요The central cannabinoid (CB1) receptor is a G protein-coupled receptor that is widely distributed in the central nervous system and several peripheral tissues and binds the active component of cannabis, Δ9-tetrahydrocannabinol. Signaling through the CB1 receptor is implicated in attentional and working memory deficits as well as obesity. AVE-1625 is a highly potent, selective antagonist for the CB1 receptor with Ki values of 0.16-0.44 nM. At 1-3 mg/kg, AVE-1625 significantly improves the performance of rodents in working memory tasks. At 30 mg/kg, AVE-1625 reduces caloric intake by more than 50% of controls and significantly increases lipolysis from fat tissues and reduces hepatic glycogen levels in rodents.
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