S-8510
기본 정보
- CAS
151224-83-8- 표준 SMILES
c1cc(-c2nc3c4c(ncc3[nH]2)CCOC4)no1- InChIKey
ITPFSYAYHHPKRT-UHFFFAOYSA-N- 분자식
- C12H10N4O2
- 평균 분자량
- 242.23 g/mol
- 단동위원소 질량
- 242.08037557
개요
S-8510 / SB-737552 is a BZD inverse agonist investigated for the treatment of Alzheimer’s disease and mild to moderate senile dementia. It was being codeveloped by Shionogi and GlaxoSmithKline.
이름 및 식별자
- 우선 이름
- S-8510
- IUPAC
- 4-(1,2-oxazol-3-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene
- 영어명
- S 8510
- 분자식
- C12H10N4O2
- 분자량
- 242.24
이름 및 동의어
S-8510s8510RefChem:202924S 85104-(1,2-oxazol-3-yl)-12-oxa-3,5,8-triazatricyclo(7.4.0.0^(2,6))trideca-1(9),2(6),3,7-tetraene151466-23-88LTE57JMN4S-8510 free base151224-83-8UNII-92SP8RX87392SP8RX8732-(Isoxazol-3-yl)-1,6,7,9-tetrahydroimidazo[4,5-d]pyrano[4,3-b]pyridine
이름 더 보기
SB737552SB-737552SB 737552S 8510 free base,S8510 free base
Imidazo(4,5-d)pyrano(4,3-b)pyridine, 1,6,7,9-tetrahydro-2-(3-isoxazolyl)-Imidazo(4,5-d)pyrano(4,3-b)pyridine, 3,6,7,9-tetrahydro-2-(3-isoxazolyl)-Imidazo(4,5-d)pyrano(4,3-b)pyridine, 1,6,7,9-tetrahydro-2-(3-isoxazolyl)-(anhydrous)S-8510 (free base)4-(1,2-oxazol-3-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraeneCHEMBL99516orb1699417SCHEMBL5880375
데이터베이스 식별자
- CAS
151224-83-8- PubChem CID
- 135409387
- ChEMBL
CHEMBL99516- UNII
- 92SP8RX873
- Nikkaji
- J782.796B
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 76.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 316
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
화학 및 산업
약리 정보
Mechanism of Action
S-8510 is a BZD partial inverse agonist to the BZD site on the GABA-A receptors in the central nervous system. As an inverse agonist (which as a group elicit CNS effects such as insomnia, agitation, and proconvulsant behaviors), S-8510 functions as a negative modulator of the GABA-A receptor. S-8510, however, is a partial inverse agonist, which means it has a lower affinity for the BZD binding site than do full agonists, and studies in animals have shown that the drug does not induce convulsions or anxiety.
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