기본 정보
- CAS
110101-66-1- 표준 SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1- InChIKey
RBKASMJPSJDQKY-RBFSKHHSSA-N- 분자식
- C38H52N6O2
- 평균 분자량
- 624.9 g/mol
- 단동위원소 질량
- 624.41517492
개요
Tirilazad is a corticosteroid hormone.
이름 및 식별자
- 우선 이름
- Tirilazad
- IUPAC
- (8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
- 현지명
- 티릴라자드메실레이트
- 영어명
- Tirilazadmesylate
- 분자식
- C38H52N6O2
- 분자량
- 624.86
이름 및 동의어
Tirilazad110101-66-1TirilazadumU 74006YD064E883IU-74006DTXSID30869521RefChem:190127N07XX01DTXCID801514961(2S,10S,11S,13R,14S,15S)-14-(2-(4-(2,6-bis(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)acetyl)-2,13,15-trimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-1(17),3,6-trien-5-one(8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
이름 더 보기
티릴라자드메실레이트Pnu 74006f16α-Methyl-21-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]pregna-1,4,9(11)-triene-3,20-dionePregna-1,4,9(11)-triene-3,20-dione, 21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)erazinyl)-16-methyl-, (16alpha)-Pregna-1,4,9(11)-triene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16-methyl-, (16α)-
Tirilazad (INN)TIRILAZAD [INN]Tirilazad [INN:BAN]Tirilazadum [INN-Latin]UNII-YD064E883ITirilazadmesylateTIRILAZAD [MI]TIRILAZAD [VANDF]
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,290
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 812.9 · 812.9±75.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.04 · 12.04±0.50(Predicted)
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
Metabolism/Metabolites
Tirilazad has known human metabolites that include 17-[2-[4-[6-(3-hydroxypyrrolidin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one, (8S,10R,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-6-hydroxy-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one, 17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-6-hydroxy-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one, and 17-[2-[4-[2-(3-hydroxypyrrolidin-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one.
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
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.
공급사4 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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