기본 정보
- CAS
348086-71-5- 표준 SMILES
Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O- InChIKey
IVZKZONQVYTCKC-UHFFFAOYSA-N- 분자식
- C18H18N4O3S2
- 평균 분자량
- 402.5 g/mol
- 단동위원소 질량
- 402.08203244
개요
Pritelivir has been used in trials studying the prevention of HSV-2 and Genital Herpes.
이름 및 식별자
- 우선 이름
- N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
- IUPAC
- N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
- 현지명
- 베이-57-1293
- 영어명
- BAY-57-1293
- 분자식
- C18H18N4O3S2
- 분자량
- 402.49
이름 및 동의어
Pritelivir348086-71-5BAY-57-1293AIC-31607HQ1TJ4JEN-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamideAIC090093AIC-090093DTXSID70188344n-[5-(aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]-n-methyl-2-[4-(2-pyridinyl)phenyl]acetamideN-(5-(Aminiosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamideBenzeneacetamide, N-(5-(aminosulfonyl)-4-methyl-2-thiazolyl)-N-methyl-4-(2-pyridinyl)-
이름 더 보기
베이-57-1293CS-857Pritelivir baseBAY571293(Pritelivir)Pritelivir,BAY-57-1293Pritelivir, 10 mM in DMSO
Benzeneacetamide, N-[5-(aminosulfonyl)-4-methyl-2-thiazolyl]-N-methyl-4-(2-pyridinyl)-N-(5-(AMINOSULFONYL)-4-METHYL-1,3-THIAZOL-2-YL)-N-METHYL-2-(4-(2-PYRIDINYL)PHENYL)ACETAMIDEpritelivirumRefChem:176034DTXCID00110835BAY 57-1293N-Methyl-N-(4-methyl-5-sulfamoylthiazol-2-yl)-2-(4-(pyridin-2-yl)phenyl)acetamideAIC316
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 617
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 639.4 · 639.4±65.0 °C(Predicted)
- 밀도
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 용해도
- 2 O; · insoluble in H2O; insoluble in EtOH; ≥13.9 mg/mL in DMSO
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.31 · 9.31±0.60(Predicted)
- 색상
- White to off-white
- InChI
- InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
- InChIKey
- IVZKZONQVYTCKC-UHFFFAOYSA-N
- SMILES
- C1(CC(N(C2=NC(C)=C(S(N)(=O)=O)S2)C)=O)=CC=C(C2=NC=CC=C2)C=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
공급사100 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
上海波以尔化工有限公司[email protected]
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