기본 정보
- CAS
27469-53-0- 표준 SMILES
C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1- InChIKey
OBDOVFRMEYHSQB-UHFFFAOYSA-N- 분자식
- C26H29F2N7
- 평균 분자량
- 477.6 g/mol
- 단동위원소 질량
- 477.24525028
개요
Almitrine is a triamino-1,3,5-triazine compound having allylamino substituents at the 2- and 4-positions and a 4-(bis(p-fluorophenyl)methyl)-1-piperazinyl group at the 6-position. It has a role as a central nervous system stimulant. It is a member of piperazines and a triamino-1,3,5-triazine.
이름 및 식별자
- 우선 이름
- Almitrine
- IUPAC
- 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
- 영어명
- ALMITRINE
- 분자식
- C26H29F2N7
- 분자량
- 477.55
이름 및 동의어
ALMITRINE27469-53-0AlmitrinAlmitrinaAlmitrinumSE 50232,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine9A1222NBG4DTXSID4057899CHEBI:537781,3,5-Triazine-2,4-diamine, 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-Almitrine Bis(methanesulfonate)
이름 더 보기
AlMitrine MesylateS-2620ALMITRINE USP/EP/BPAlmitrine dimethanesulfonic acid2,4-Bis(allylamino)-6-[4-[bis(p-fluorophenyl)methyl]-1-piperazinyl]-s-triazine1-[2,4-Bis(allylamino)-1,3,5-triazin-6-yl]-4-[bis(4-fluorophenyl)methyl]piperazine6-[4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl]-N,N'-di(2-propenyl)-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 6-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-N2,N4-di-2-propen-1-yl-
6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamineMonomesylate, AlmitrineRefChem:110940DTXCID5031682R07AB07248-475-5SE-5023
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 69.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 602
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Respiratory system -> Nasal preparations
Pharmaceuticals -> Listed in ZINC15
Solubility1.44e-02 g/L
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 181 ° · 181°
- 밀도
- 1.2278 · 1.2278 (estimate)
- 물리적 상태
- 고체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- 독성
- LD50 ipr-mus: 390 mg/kg DRFUD4 3,717,78
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
QR - Respiratory system
PharmacodynamicsAlmitrine is a respiratory stimulant that enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies.
Mechanism of Action
Almitrine is an agonist at the peripheral chemoreceptors expressed on carotid bodies. It enhances respiration in patients with chronic obstructive pulmonary disease by increasing the arterial oxygen tension while decreasing the arterial carbon dioxide tension.
MeSH Pharmacological Classification
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Drugs used for their effects on the respiratory system.
Cellular LocationsMembrane
응용 분야
용도Respiratory stimulant.
상·하류 제품 정보
상류 원료
공급사21 곳
北京华美互利生物化工010-56205725 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
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